Publications

@article{nokey,

title = {A reflection on 'A hydrazone-based covalent organic framework for photocatalytic hydrogen production': teaching sponges new tricks},

author = {A Rodr\'{i}guez-Camargo and B V Lotsch},

url = {\<Go to ISI\>://WOS:001710608400001},

doi = {10.1039/d6sc90032a},

issn = {2041-6520},

year  = {2026},

date = {2026-03-25},

journal = {Chemical Science},

volume = {17},

number = {12},

pages = {5777-5781},

abstract = {Covalent organic frameworks (COFs) are a unique class of porous materials built entirely from organic building blocks. As such, COFs unite the tunability of molecules with the robustness and optoelectronic functionality of extended solids-key requisites for (photo)catalysis. This LEGO (R)-like design of crystalline "molecular sponges" has captivated the imagination of chemists and inspired the first COF photocatalyst: a hydrazone-linked COF capable of harnessing visible light to drive the evolution of hydrogen from water. This commentary revisits that seminal contribution, published 11 years ago in Chemical Science (L. Stegbauer, K. Schwinghammer, B. V. Lotsch, Chem. Sci., 2014, \<bold\>5\</bold\>, 2789-2793, https://doi.org/10.1039/C4SC00016A), and reflects on its lasting impact. We survey the major advances that have shaped COF photocatalysis over the past decade and outline emerging opportunities and challenges, offering a forward-looking perspective on the role of COFs in solar energy conversion.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Covalent Organic Framework-Carbon Nanotube Core-Shell Nanohybrids for Enhanced Catalytic Site Utilization of Molecular Catalysts in CO2 Electroreduction},

author = {L Yao and A Rodr\'{i}guez-Camargo and R Guntermann and F Heck and S Van Gele and H Vignolo-Gonz\'{a}lez and V Duppel and T Bein and B V Lotsch},

url = {\<Go to ISI\>://WOS:001717559000001},

doi = {10.1002/anie.202521776},

issn = {1433-7851},

year  = {2026},

date = {2026-03-19},

journal = {Angewandte Chemie-International Edition},

abstract = {Developing strategies to enhance the utilization efficiency of catalytic sites in molecular catalysts has garnered increasing research interest in the field of molecular heterogeneous catalysis. The primary challenges in achieving this goal lie in the aggregation-induced site inaccessibility in molecular catalysts. Here, we present the synthesis of covalent organic framework-carbon nanotube (COF-CNT) core-shell nanohybrids as a platform to improve the site utilization of molecular catalysts in electrochemical CO2 reduction. COF shells with a thickness of 50-80 nm are uniformly grown on CNTs, ensuring a well-defined morphology with pores oriented perpendicularly to the CNT basal plane. The incorporation of molecular catalysts with COF-CNT nanohybrids enables their application as scaffolds in the electrochemical CO2 reduction. The best-performing sample exhibits a two-orders-of-magnitude increase in CO turnover frequency (TOF) compared to both pristine CoTPyP molecular catalyst and COF-366-Co, thus underscoring the effectiveness of the COF-CNT hybrid structure in optimizing catalytic site accessibility. The enhanced site utilization is further validated in other molecular catalyst systems, where exceptionally high TOF values-among the highest reported to date for electrochemical CO2-to-CO conversion-were achieved. Collectively, this study establishes COF-CNT nanohybrids as a promising strategy for advancing COF-based electrocatalysts and facilitating molecular catalyst applications in electrochemical energy conversion.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Tuning Pd Catalyst Performance in Transfer Hydrogenation Reactions: Ligand Electronic Properties, Hydrogen Source and Ionic Liquid-Mediated-Effects},

author = {M K Markovic and A Franke and I Kellner and L Senft and P Mayer and P Maier and I Ivanovic-Burmazovic},

url = {\<Go to ISI\>://WOS:001718797000001},

doi = {10.1021/acs.inorgchem.5c05855},

issn = {0020-1669},

year  = {2026},

date = {2026-03-19},

journal = {Inorganic Chemistry},

abstract = {We report a systematic study of phenanthroline-Pd(II) complexes featuring electronically tuned amide substituents (alkyl: L1; carboxylic: L2/L3) for the transfer hydrogenation (TH) of trans-cinnamic acid (trans-CA) to hydrocinnamic acid (HCA) in imidazolium-based ionic liquids (ILs). The electronic effects of ligand substituents, hydrogen source (FA/TEA mixtures vs ammonium formate), and solvent environment on catalytic activity were evaluated. Alkylamide-substituted [Pd(L1)Cl2] displayed superior performance with FA/TEA via solution-phase hydride transfer, whereas electron-deficient [Pd(L2-L3)Cl2] were more effective with ammonium formate under a mixed homogeneous/heterogeneous regime. Ionic liquids significantly enhanced catalyst performance compared to the conventional organic solvent DMF, with minor changes in IL cations or anion causing substantial variations in conversion. Mechanistic studies, including MS, UV-Vis, NMR, electrochemistry (using Pt(II) analogues), and gas-evolution analyses, revealed that monoformate Pd intermediates and their evolution depend on the electronic properties of the ligands and the hydrogen donor, directing productive or unproductive pathways. This work highlights the delicate interplay between ligand design, hydrogen source, and ionic liquid microenvironment in controlling Pd-catalyzed transfer hydrogenation and provides a platform for designing efficient, tunable Pd-based TH systems.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Tuning Redox Behavior of Pyrene-Benzothiadiazole/TTF-Based Covalent Organic Framework Electrodes in Dual-Ion Batteries},

author = {A Singh and D Bl\"{a}tte and R Guntermann and L Quincke and J L M Rupp and T Bein},

url = {\<Go to ISI\>://WOS:001684893800001},

doi = {10.1002/anie.202522720},

issn = {1433-7851},

year  = {2026},

date = {2026-03-16},

journal = {Angewandte Chemie-International Edition},

volume = {65},

number = {12},

abstract = {Covalent organic frameworks (COFs) have emerged as promising electrode materials for secondary-ion batteries, where redox-active building blocks and linkages enable tunable redox properties, while ordered pores serve as nanochannels for fast ion transport. We report a novel highly crystalline 2D PyTTF-COF, synthesized by integrating n-type pyrene-benzothiadiazole (PyBT) and p-type tetrathiafulvalene (TTF) subunits via an n-type imine linkage, yielding a bipolar electrode capable of reversible 16 e- dual cation-anion storage. Initially, the dual-ion, redox synergy was tested in a Li-ion half-cell, where PyTTF served as cathode, and 1 \& mcy; LiPF6 or LiTFSI electrolytes were employed to probe anion-dependent electrochemical behavior. Electrochemical evaluation in Li-ion half cells revealed a wide electrochemical window of 0.1-3.6 V vs. Li/Li+, with markedly enhanced charge-storage kinetics and ion diffusion with LiTFSI relative to LiPF6 electrolytes. The PyTTF electrode delivered specific capacities of 286 mAh g-1 (LiTFSI) and 184 mAh g-1 (LiPF6) at 0.3 A g-1, highlighting the strong influence of anion identity. Systematic variation of LiTFSI salt concentration (1-3 \& mcy;) revealed strong correlations between electrolyte composition, ion storage dynamics, and interfacial charge-transfer resistance. This study highlights, for the first time, the critical importance of tailoring both charge-carrier identity and electrolyte concentration to unlock the full potential of bipolar COF electrodes for dual-ion batteries.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Distance-Dependent Energy Transfer Between Organic Fluorophores and Single-Walled Carbon Nanotubes},

author = {I Kaminska and J T Metternich and A M Szalai and C Smidoda and S Chakraborty and L Vukovic and S Kruss and P Tinnefeld},

url = {\<Go to ISI\>://WOS:001683636500001},

doi = {10.1002/anie.202520411},

issn = {1433-7851},

year  = {2026},

date = {2026-03-16},

journal = {Angewandte Chemie-International Edition},

volume = {65},

number = {12},

abstract = {Single-walled carbon nanotubes (SWCNTs) are promising optical biosensing platforms due to their intrinsic near-infrared fluorescence and environmental sensitivity. While DNA-SWCNT hybrids have been widely studied, the structural arrangement of double-stranded DNA (dsDNA) on SWCNTs and its impact on exciton-fluorophore interactions remain insufficiently characterized. Here, we introduce carbon nanotube energy transfer with vertical nucleic acids (CNETvNA), in which fluorophores are positioned at defined distances from SWCNTs using guanine-defect anchored capture sequences hybridized with complementary oligonucleotides. By systematically varying the duplex length from 12 to 24 base pairs, we probe the distance dependence of dye-SWCNT interactions at the single-molecule level. Fluorescence lifetime imaging microscopy reveals efficient quenching of ATTO542 and ATTO643 dyes, with lifetime distributions reflecting heterogeneous duplex conformations. Molecular dynamics simulations demonstrate that dsDNA duplexes adopt a predominantly perpendicular orientation relative to the SWCNT axis, with increasing tilt and conformational variability at longer lengths. Combining experimental and computational results, we establish a distance dependence of d- 5 with 7.4 +/- 0.7 nm for 50% quenching efficiency, consistent with theoretical predictions for point dipole donors and 1D acceptors. These findings provide structural insights into DNA-SWCNT conjugates and establish CNETvNA as a rational design principle for SWCNT-based biosensors.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Defect Properties and Band Energetics of Atomic Layer Deposited MoOX on Crystalline Si},

author = {N Dsouza and T Rieth and I D Sharp and J K Rath},

url = {\<Go to ISI\>://WOS:001677425500001},

doi = {10.1002/admi.202501058},

issn = {2196-7350},

year  = {2026},

date = {2026-03-16},

journal = {Advanced Materials Interfaces},

volume = {13},

number = {6},

abstract = {Molybdenum oxide (MoOx) thin films have been extensively investigated for selective hole extraction in solar cells, including as an efficient alternative to the well-studied p-type a-Si:H layers in Si heterojunction cells. Among the various methods for producing MoOx films, atomic layer deposition (ALD) enables the growth of conformal, thin, and electronically tunable materials. However, while several studies have examined ALD-grown MoOx, a comprehensive understanding of its electronic structure, density of states, and the influence of growth conditions on its interface and energetic alignment with c-Si is still evolving. In this study, we investigate and comparatively analyze the properties of MoOx films deposited using different ALD processes, including those based on oxygen plasma-enhanced and ozone-assisted ALD growth. Through analysis of optical absorption spectra, we find that different ALD processes can be used to tune the densities of active defects, including both near-band edge tail states and deep defect states located similar to 1.1 eV below the conduction band edge. Our comparative analysis reveals that ozone-assisted growth leads to increased defect densities compared to oxygen plasma-enhanced growth. In addition, all films are characterized by a prominent sub-gap absorption feature that is consistent with the formation of small polarons. Finally, we used a combination of optical and X-ray spectroscopic methods to evaluate the band alignment between ALD MoOx thin films and c-Si, confirming the presence of a small energetic barrier that can permit selective hole injection across the interface. Overall, ALD enables highly controllable growth of films with variable defect concentrations and film properties that are of key relevance for the development of heterojunction solar cells.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Halide Segregation in Wide-Bandgap Quasi-2D Perovskites under Rapid Thermal Cycling},

author = {K Sun and K L Fong and X J Ci and X Z Jiang and S A Wegener and Y X Liang and Z R Li and M Schwartzkopf and S K Vayalil and S V Roth and P M\"{u}ller-Buschbaum},

url = {\<Go to ISI\>://WOS:001698622400001},

doi = {10.1021/acsenergylett.6c00094},

issn = {2380-8195},

year  = {2026},

date = {2026-03-13},

journal = {Acs Energy Letters},

volume = {11},

number = {3},

pages = {2952-2958},

abstract = {Wide-bandgap (WBG) perovskites are susceptible to ion migration and phase separation under external stressors. Reduced-dimensional perovskites (RDPs) have emerged as alternatives to 3D perovskites for improving stability. However, the influence of spacer cations on the thermal cycling stability of WBG RDPs remains poorly understood. Here, we investigate the effect of two representative organic spacers, butylammonium (BA) and 1,4-phenylenedimethylammonium (PDMA), on the stability of WBG RDPs (n = 4, similar to 1.75 eV) under light illumination and thermal cycling using in situ grazing-incidence X-ray wide-angle scattering (GIWAXS) and photoluminescence (PL). In situ GIWAXS and PL reveal that RDPs with BA+ undergo phase separation and pronounced structural degradation under combined stress, particularly along the in-plane direction, whereas RDPs with PDMA2+ demonstrate better stability. These results indicate that bulky organic cations influence the thermal and structural stabilities of WBG RDPs, providing design guidelines for stable perovskite absorbers in tandem solar cells.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Visualizing Dynamic Processes in Energy Materials by Interferometric Scattering Microscopy},

author = {F Grobmeyer and V Fernandez-Gonzalez and S Ezendam and C G Gruber and M B Mousavi and E Cortes},

url = {\<Go to ISI\>://WOS:001695325700001},

doi = {10.1021/acsenergylett.5c03495},

issn = {2380-8195},

year  = {2026},

date = {2026-03-13},

journal = {Acs Energy Letters},

volume = {11},

number = {3},

pages = {2432-2443},

abstract = {Interferometric scattering microscopy (iSCAT) is emerging as a powerful label-free optical method to directly visualize nanoscale dynamics in real time. While it catalyzed major progress in single-molecule studies in life sciences, its broader potential in chemistry and materials science is only beginning to unfold. This Perspective introduces iSCAT to the energy-materials community, highlighting how its sensitivity to subtle refractive-index changes enables direct observation of dynamic phenomena central to device performance and materials function. Ranging from single-particle energy conversion, and phase transformations to exciton and heat transport in semiconductors, from nanoparticle nucleation and growth up to self-assembly and framework formation, iSCAT provides spatiotemporal insights inaccessible to conventional techniques. We outline configurations most relevant to energy research to help researchers assess compatibility with their systems. By rendering the dynamics of transformation visible, iSCAT reshapes how materials processes are probed under realistic conditions.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {In Situ EC-EPR Spectroscopy and DFT Analysis of HUPD on Polycrystalline Pt},

author = {R G\"{o}tz and K Pyyhti\"{a} and B X Li and T K Sarpey and K T Song and M Todorova and N Kukharchyk and S Schreier and P Peljo and E L Gubanova and J Neugebauer and A S Bandarenka},

url = {\<Go to ISI\>://WOS:001715297700036},

doi = {10.1002/cssc.202501908},

issn = {1864-5631},

year  = {2026},

date = {2026-03-13},

journal = {Chemsuschem},

volume = {19},

number = {5},

abstract = {Electrochemical hydrogen production and conversion using renewable energy sources have become a key topic in catalysis research. Platinum and Pt-group metals are among the best materials promoting H-2 evolution (HER) and oxidation (HOR) reactions. However, the nature of active surface sites should be further elucidated to improve their performance and gain a better fundamental understanding of those processes. This is not a trivial task, mainly due to the high surface mobility of the H-species. Here, we use in situ electron paramagnetic resonance (EPR) spectroscopy to investigate the Pt surface in the so-called underpotential deposition (UPD) region in acidic media and observe EPR responses indicative of hydrogen adsorption sites, the knowledge of which is essential for both HOR and HER. Our EPR measurements and theoretical ab initio molecular dynamics (AIMD) calculations suggest that the average adsorption sites for atomic hydrogen at the surface of platinum are either on-top sites or 3-fold hollow sites, while bridge sites are not likely to be occupied. For EPR, the intensity maximum is reached at -0.85 V versus Pt, and then the signal intensity vanishes for potentials just before HER, suggesting EPR-silent H-2 formation. At the same time, ab initio density functional theory (DFT) calculations of a Pt(111) surface with 7/12 ML coverage of H at room temperature yield occupancy probabilities of 0.72 (fcc hollow), 0.26 (on-top), and 0 (bridge) for the respective sites. Hence, fcc hollow is favored over on-top adsorption sites at high coverages, which is consistent with the observation via EPR spectroscopy. To our knowledge, EPR spectroscopy was used for the first time to probe the EPR response during hydrogen electrosorption in the H-UPD region at polycrystalline platinum electrodes in acidic electrolytes.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {The Role of Halogen-Free Solvents on the Stability of PTQ-2F:BTP-4F-Based Organic Solar Cells},

author = {L V Spanier and R J Guo and J E Heger and M Schwartzkopf and S V Roth and P M\"{u}ller-Buschbaum},

url = {\<Go to ISI\>://WOS:001714039800007},

doi = {10.1002/solr.202500819},

issn = {2367-198X},

year  = {2026},

date = {2026-03-12},

journal = {Solar Rrl},

volume = {10},

number = {5},

abstract = {The appeal of organic solar cells (OSCs) as a source of environmentally friendly electricity is often negatively impacted by the common use of hazardous materials in their manufacturing, such as halogenated solvents. This study explores the fabrication and operational stability of PTQ-2F:BTP-4F-based OSCs using halogenated (chloroform (CF), chlorobenzene) and nonhalogenated (ortho-xylene (oXY), 1,2,4-trimethylbenzene) solvents in a hot-solvent spin-coating process. Initial power conversion efficiencies (PCEs) of up to 12.2% (CF) and 10.0% (oXY) are achieved, with detailed morphological and performance analyses conducted via ex situ and operando grazing-incidence small-angle X-ray scattering (GISAXS). Ex situ measurements reveal significant differences in bulk-heterojunction nanostructures, with benzene-based solvents producing domain size distributions distinct from CF-processed films. Operando GISAXS connects real-time degradation kinetics to the domain size evolution, highlighting solvent-dependent kinetics. Halogenated solvents facilitate a gradual PCE decay, while nonhalogenated solvents exhibit a rapid initial burn-in phase followed by stabilization, with oXY-processed OSCs demonstrating superior long-term stability. Morphological stability in oXY films originates from the limited coalescence of small polymer domains, retaining a more fine-grained structure in the active layer. This study emphasizes the critical role of processing solvents in OSC performance and stability, positioning oXY as a sustainable candidate for scalable and eco-friendly OSC fabrication.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Ultrafast nano-imaging and nano-spectroscopy},

author = {B L Esses and D Sandner and P A Mckee and R Wilcken and J Nishida and R L Puro and M B Raschke},

url = {\<Go to ISI\>://WOS:001712942900001},

doi = {10.1038/s43586-026-00474-7},

year  = {2026},

date = {2026-03-12},

journal = {Nature Reviews Methods Primers},

volume = {6},

number = {1},

abstract = {Ultrafast pump-probe nano-imaging combines scanning probe-based optical near-field microscopy with ultrafast spectroscopy to enable imaging with deep sub-wavelength spatial resolution, femtosecond temporal resolution and simultaneous spectral resolution. Ultrafast nano-imaging has gained increased attention for its ability to provide far-from-equilibrium excitation and excited-state contrast. With coherent and nonlinear probing, coupled electron, spin and lattice dynamics on elementary timescale and length scale can be resolved. Through nano-movies, ultrafast nano-imaging visualizes correlated quantum dynamics underlying the properties of solid-state materials, semiconductors, molecular electronic, photonic, photovoltaic and other functional materials. With nanometre spatial resolution, this method probes elementary dynamic processes across multiple length scales that are otherwise obscured in conventional ultrafast spectroscopy in which heterogeneities are spatially averaged. This Primer describes the theoretical background and experimental implementation of ultrafast nano-imaging; signal interpretation and modelling; representative examples and a perspective for the future development of the field.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Electrochemical and computational insights into lithium nucleation at Ni(111) and Cu(111) surfaces for anode-free Li-metal batteries},

author = {K Cicvaric and L Mannich and S Suttor and W Hu and V Alexandrov and A S Bandarenka},

url = {\<Go to ISI\>://WOS:001719110000001},

doi = {10.1039/d6ta00180g},

issn = {2050-7488},

year  = {2026},

date = {2026-03-12},

journal = {Journal of Materials Chemistry A},

abstract = {The high energy density of anode-free Li-metal batteries (AFLMBs) stems from eliminating the graphite anode, allowing lithium (Li) to be directly electrodeposited onto the current collector during charging. Although copper (Cu) foil is widely employed as a current collector, it often experiences Li dendritic growth, which can cause system failures. Nickel (Ni) foil is a promising alternative as a current collector, meeting the general requirements; however, the in-depth behaviour of Li deposition on Ni remains unclear. Here, we compare the initial stages of Li deposition on model Cu(111) and Ni(111) single crystals by calculating the apparent rate coefficients of Li deposition (kapp(t,E)). In addition, we apply density functional theory (DFT) calculations to clarify the experimentally observed trends in kinetic parameters. Our results reveal that the overall kapp(t,E) on Ni(111) are lower than on Cu(111) with a decreasing trend with increasing overpotential and deposition time. Furthermore, we show that Ni(111) exhibits higher lithiophilicity than Cu(111) as the adsorption energy on the former is lower (more negative values), while exhibiting a similar surface diffusion barrier. A subsequent second layer Li deposition is theoretically examined to have higher adsorption energy on Ni(111) than on Cu(111) for dense configurations, which can facilitate lateral diffusion of Li adatoms, leading to smoother Li growth as shown experimentally. What is more, we show that Ni(111) exhibits higher corrosion resistance, rendering it a preferred material choice as a current collector.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Morphological Optimization of the Active Layer from Film Formation Kinetics in Organic Solar Cells},

author = {J S Zhang and P Muller-Buschbaum},

url = {\<Go to ISI\>://WOS:001699701000001},

doi = {10.1021/acsami.5c25668},

issn = {1944-8244},

year  = {2026},

date = {2026-03-11},

journal = {Acs Applied Materials \& Interfaces},

volume = {18},

number = {9},

pages = {13335-13343},

abstract = {A deep understanding of the structural evolution is critical for the precise morphological optimization of the active layer in organic solar cells. This perspective systematically reviews the kinetic mechanisms of film formation and emphasizes that regulating processing parameters, such as deposition temperature, processing solvent, and additives, can effectively govern crystallization and phase separation during layer deposition. Advanced in situ characterization techniques are highlighted as indispensable tools for real-time decoding of these coupled kinetic pathways. We also summarize these techniques, covering their principles, detectable structural information, and inherent limitations and constraints, thereby guiding the selection of appropriate in situ tools. Finally, we outline the key challenges in the field and provide insights into future research aimed at advancing device performance through targeted morphological control.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Deterministic quantum light emitters in DNA origami-engineered molecule-MoS2 hybrids},

author = {Z J Li and S Zhao and I Melchakova and E Erber and C Sikeler and K Watanabe and T Taniguchi and T Liedl and A H\"{o}gele and A S Baimuratov and I V Martynenko},

url = {\<Go to ISI\>://WOS:001712988400004},

doi = {10.1038/s41377-026-02204-w},

issn = {2095-5545},

year  = {2026},

date = {2026-03-09},

journal = {Light-Science \& Applications},

volume = {15},

number = {1},

abstract = {The functionalization of atomically-thin transition metal dichalcogenides (TMDs) with organic molecules is a promising approach for realizing nanoscale optoelectronic devices with tailored functionalities, such as quantum light generation or p-n junctions. However, achieving precise control over the molecules' positioning on the 2D material remains a significant challenge. Here, we overcome the limitations of solution- and vapor-deposition methods and use a DNA origami placement technique to spatially arrange thiol molecules on a chip surface at the single-molecule level with high assembly yields. We successfully integrated MoS2 monolayers with micron-scale thiol-origami patterns, creating quantum-emitting sites from thiol-induced localized excitons in MoS2. Our work lays a foundation for the chemical control of quantum emitters in atomically-thin semiconductors and enables the design and production of ultracompact 2D devices for quantum technologies.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Impedance Spectroscopy Analysis of Sulfide Solid Electrolyte Composites for All-Solid-State Batteries},

author = {S Suttor and P Walke and K Cicvaric and A S Bandarenka},

url = {\<Go to ISI\>://WOS:001696695300001},

doi = {10.1021/acs.jpcc.5c08415},

issn = {1932-7447},

year  = {2026},

date = {2026-03-05},

journal = {Journal of Physical Chemistry C},

volume = {130},

number = {9},

pages = {3590-3600},

abstract = {To further improve sulfide-based all-solid-state batteries, it is essential to gain a deeper understanding of the chemical and physical phenomena that occur during battery operation. Electrochemical impedance spectroscopy (EIS) has proven to be a powerful, nondestructive technique for determining ionic and electronic conductivities of various electrochemical systems. However, despite the potentially high informative power of this method, EIS data interpretation can be challenging. One approach to addressing this issue is to utilize physics-based electrical equivalent circuits (EECs) to fit and analyze the obtained data. In this work, physics-based EECs are proposed and validated for a model solid electrolyte composite with Li6PS5Cl (LPSCl) as the sulfide solid electrolyte (SE) and hydrogenated poly(acrylonitrile-co-butadiene) (HNBR) as the binder, tested under blocking conditions. The EECs are validated by using various current collectors (tungsten carbide-cobalt, nickel, nickel-plated copper, and gold-sputtered nickel-plated copper) as well as HNBR binder contents of 2, 5, and 10 wt % in the SE composite films. Impedances due to conduction pathways and interfaces, including the LPSCl bulk, binder-free and binder-coated grain boundaries, and interfaces between the electrode and the composite, were quantified. We demonstrate that two distinct EECs are required to accurately model the impedance response across lower and mid-high binder contents, with the main differences observed in the high-frequency region. Finally, we determine the impact of binder content on the composites' ionic conductivity: the addition of binder decreases the ionic conductivity of the SE composite film by more than 60% for the 5 wt % HNBR SE composite and by more than 90% for the 10 wt % HNBR SE composites compared to the 2 wt % HNBR binder composites.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Cu/TiO2 as a low-cost alternative to Pt/TiO2 for hydrogen production via photocatalytic ethanol reforming: a direct comparison and mechanistic analysis},

author = {L Mengel and P Van Den Berg and C Aletsee and P Neethling and G Bosman and B Agyei-Tuffour and J T Asante and E Nyankson and D Dodoo-Arhin and Z Mapholi and M Tschurl and N Goosen and U Heiz},

url = {\<Go to ISI\>://WOS:001680419000001},

doi = {10.1016/j.apcata.2026.120802},

issn = {0926-860X},

year  = {2026},

date = {2026-03-05},

journal = {Applied Catalysis a-General},

volume = {713},

abstract = {TiO2 is one of the most studied photocatalysts for hydrogen evolution. As decoration with a metal co-catalyst is essential for catalytic formation of hydrogen, there is an ongoing search for low-cost alternatives to the currently predominant noble metals. In this work, we directly compare Cu and Pt co-catalysts on anatase TiO2 in liquid ethanol photoreforming in the absence of water and oxygen. Under these conditions, high product selectivities are achievable on the carbonaceous side of the reaction. The activity of Cu is in the same order of magnitude as Pt, which makes Cu a prospective candidate. Our results also indicate that low metal loadings might be favorable to achieve high co-catalyst efficiencies. Additional insights into the photocatalyst behavior under reaction conditions complement the photocatalytic investigation. Namely, color changes and absorbance features in the visible indicate a reduction of both TiO2 and the Cu co-catalyst when excluding water and oxygen from the reaction solution. The surface hydroxyls formed during the photooxidation of the alcohol likely take part in these processes, which can be comprehensively explained when considering previous insights from UHV experiments. Consequently, this work not only suggests Cu to be a suitable and cost-efficient replacement for Pt as a co-catalyst for hydrogen evolution but also indicates that surface hydroxyls might play a decisive role in complex photo-catalytic reactions on TiO2 in a liquid environment.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Plasmonic Enhancement in an Earth-Abundant CuNi Catalyst for Alkaline Hydrogen Evolution Reaction},

author = {Y H Wang and L Zhu and E Mariani and E Pensa and O Henrotte and Y Xia and K Muller-Caspary and T Y Zhang and M R Gao and E Cortes},

url = {\<Go to ISI\>://WOS:001695417600001},

doi = {10.1021/jacs.5c20455},

issn = {0002-7863},

year  = {2026},

date = {2026-03-04},

journal = {Journal of the American Chemical Society},

volume = {148},

number = {8},

pages = {8612-8620},

abstract = {Hydrogen generation in alkaline media is essential for scalable, sustainable water electrolysis but is limited by sluggish hydrogen evolution reaction (HER) kinetics that prevent earth-abundant catalysts from matching platinum. We present a noble-metal-free, light-responsive CuNi electrocatalyst that couples the plasmonic excitation of Cu with the catalytic activity of Ni. The optimized Cu-Ni interface supports strong visible plasmonic absorption near 625 nm and favorable charge redistribution for water dissociation. Under illumination, the CuNi catalyst achieves an overpotential of 47 mV at -10 mA cm-2, surpassing Pt under identical operating conditions and doubling efficiency relative to dark operation. Mechanistic analyses reveal that plasmon excitation drives hot-electron injection into Ni active sites as well as photothermal enhancement of mass transport, establishing a light-driven catalytic regime beyond conventional electrocatalysis. This work demonstrates the first visible-light-driven HER catalyst surpassing Pt with a noble-metal-free design, outlining a scalable pathway toward sustainable photoelectrocatalytic hydrogen production.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Accessible, All-Polymer Metasurfaces: Low Effort, High Quality Factor},

author = {M Hirler and A A Antonov and E Bau and A Aigner and C Heimig and H Y Hu and A Tittl},

url = {\<Go to ISI\>://WOS:001695448500001},

doi = {10.1021/acsnano.5c15415},

issn = {1936-0851},

year  = {2026},

date = {2026-03-03},

journal = {Acs Nano},

volume = {20},

number = {8},

pages = {6722-6731},

abstract = {Optical metasurfaces supporting resonances with high quality factors offer an outstanding platform for applications such as nonlinear optics, light guiding, lasing, sensing, light-matter coupling, and quantum optics. However, their experimental realization typically demands elaborate multistep procedures such as metal or dielectric deposition, lift-off, and reactive ion etching. As a consequence, accessibility, large-scale production, and sustainability are constrained by reliance on cost-, time-, and labor-intensive facilities. We overcome this fabrication hurdle by repurposing poly(methyl methacrylate), which is usually employed as a temporary resist, as the resonator material, thereby eliminating all steps except for spin-coating, exposure, and development. Because the low refractive index of the polymer limits effective mode formation, we present a bilayer recipe that enables the convenient fabrication of a freestanding membrane to maximize the index contrast with its surroundings. Since etching induced defects are circumvented, the membrane features high quality nanopatterns. We further examine the suspended membrane with scanning electron microscopy and extract its position-dependent spring constant and pretension with nanoindentation experiments applied with the tip of an atomic force microscope. Our all-polymer metasurface hosting bound states in the continuum experimentally delivers high quality factors (up to 523) at visible and near-infrared wavelengths, despite the low refractive index of the polymer, and enables straightforward geometry-based tuning of both line width and resonance position. We envision this methodology to facilitate accessible, high performance metasurfaces with specialized use cases such as material blending, angled writing, and mechanically based resonance tuning.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Simulating quadrupolar NMR dynamics in solid electrolyte Li10GeP2S12},

author = {T Huss and F Civaia and S S K\"{o}cher and K Reuter and J Granwehr and C Scheurer},

url = {\<Go to ISI\>://WOS:001698897400001},

doi = {10.1063/5.0308803},

issn = {0021-9606},

year  = {2026},

date = {2026-02-28},

journal = {Journal of Chemical Physics},

volume = {164},

number = {8},

abstract = {Quadrupolar solid-state nuclear magnetic resonance (NMR) spectroscopy is an excellent tool to trace lithium (Li) ion diffusion in solid electrolytes due to its sensitivity to dynamics over timescales from nanoseconds to seconds. However, the structural and dynamical complexity of battery materials limits the unambiguous interpretation of experimental data. Fast ionic motion can partially average experimentally observable quantities, leaving the underlying distribution of electric field gradients (EFGs) experimentally inaccessible and, therefore, the measured data hard to interpret. In contrast, atomic simulation approaches, while providing the structure-observable relationship, are often constrained to idealized models. Established methods such as density functional theory remain computationally expensive for realistic time and length scales. Here, we show how experimental complexity in the fast-ion conductor Li10GeP2S12 (LGPS) can be approached via a machine-learning (ML) assisted workflow. ML acceleration enables microsecond-scale molecular dynamics (MD) simulations and efficient predictions of EFG tensors via a tensorial model. By time averaging the EFG tensors from the MD trajectory, we compute the temperature dependence of Li-7 NMR quadrupolar observables subject to motional narrowing. Our prediction of the quadrupolar coupling of 24 kHz for tetragonal LGPS is in excellent agreement with the experimental value of 23 kHz. Furthermore, we emulate a spin-alignment echo (SAE) experiment in silico and apply the inverse Laplace transform to extract correlation times for ionic motion of Li in different LGPS crystal structures. Finally, we assess whether SAE can differentiate inter-grain vs intra-grain ion dynamics via the orientational dependence of the EFG tensor.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Ultrafast Spectroscopy Reveals Significant Differences in LH2 Exciton Mobility at Cryogenic and Ambient Temperatures},

author = {E Keil and P Maly and R J Cogdell and J Hauer and D Zigmantas and E Thyrhaug},

url = {\<Go to ISI\>://WOS:001690701900001},

doi = {10.1021/acs.jpclett.5c03917},

issn = {1948-7185},

year  = {2026},

date = {2026-02-26},

journal = {Journal of Physical Chemistry Letters},

volume = {17},

number = {8},

pages = {2313-2320},

abstract = {Spectroscopic studies of energy transport through the photosynthetic apparatus have been crucial to expanding our understanding of biological energy conversion. Correlating spectroscopic information to the electronic structure and function in these complex systems remains highly challenging, however. While cryogenic experimental conditions help in improving the effective spectral resolution and sample stability, the observed fine-grained dynamics do not necessarily reflect in vivo functionality. To address this issue, we target the temperature dependence of energy migration in light-harvesting complex 2 of purple bacteria. Temperature- and polarization-controlled two-dimensional electronic spectroscopy reveal rapid exciton immobilization at low temperatures, while intensity-dependent experiments allow identification of transport barriers. We find that exciton trapping, dominating the dynamics at 80 K, becomes negligible above 150 K, implying that observations at cryogenic temperatures do not always directly reflect biological function. We additionally find that considerable care and explicit modeling may be necessary for correct interpretation of multiexciton experiments.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Automated Discovery of Reactive Events via Hypergraph Mining of Ab Initio Atomistic Simulations},

author = {A Stan-Bernhardt and P Pellizzoni and K Borgwardt and C Ochsenfeld},

url = {\<Go to ISI\>://WOS:001688864500001},

doi = {10.1021/acs.jctc.5c01682},

issn = {1549-9618},

year  = {2026},

date = {2026-02-24},

journal = {Journal of Chemical Theory and Computation},

volume = {22},

number = {4},

pages = {1674-1686},

abstract = {The field of generative chemistry and automated exploration of chemical reaction space has gained much interest in recent years as it provides a feasible alternative to performing resource-intensive experiments by enabling important computational insights into new molecular systems. The results are often summarized in reaction networks, which reveal intricate relations between different key reactive events. Although various approaches to explore the available chemical space have been introduced, the information contained in the resulting reaction networks has not been fully exploited so far. We propose an automated workflow for the analysis of chemical reaction networks by applying frequent pattern mining on the corresponding directed hypergraphs to identify frequently occurring reactive patterns across a set of simulations. Furthermore, we identify reactive events that are statistically correlated with given environmental conditions by applying Fisher's exact test and controlling the family-wise error rate to ensure high statistical relevance. Minimum energy paths for frequent and statistically significant patterns are obtained with the molecular double-ended growing string method at omega B97X-3c level of theory. We showcase the pattern-mining-based analysis on the thermally controlled interstellar synthesis of carbamic acid, where we retrieve results in line with experimental data and further investigate the role of water as a protic solvent therein.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Merging van der Waals Materials and Optical Metasurfaces for Cavity Quantum Electrodynamics},

author = {L Sortino and A Tittl and S A Maier},

url = {\<Go to ISI\>://WOS:001697583500001},

doi = {10.1002/nap2.70038},

issn = {2192-8606},

year  = {2026},

date = {2026-02-23},

journal = {Nanophotonics},

volume = {15},

number = {5},

abstract = {Flat optical metasurfaces are transforming photonics research by enabling new ways to control light in ultrathin, versatile photonic devices. The rise of quasi-bound states in the continuum (qBIC) metasurfaces has enabled tailored high-quality (Q) factor resonances in subwavelength nanostructured thin films, analogous to traditional optical cavities. In this perspective, we explore the emergence of cavity quantum electrodynamics (QED) in optical qBIC metasurfaces, specifically those constructed from van der Waals (vdW) layered materials. Because of their remarkable properties, vdW metasurfaces can support intrinsic optical resonances within the same active material hosting luminescent species, such as excitons or defects, leading to optimal light-matter coupling. This approach of self-hybridizing the cavity-emitter system into a single platform effectively overcomes limitations in on-chip integration of conventional cavities. Combining vdW materials with optically engineered qBIC metasurfaces opens exciting possibilities for exploring nanoscale light-matter interactions. Moreover, the distinctive features of vdW materials, from vertical heterostructures to twist-angle-dependent properties, offer a unique platform bridging the condensed matter physics of 2D materials and engineered nanophotonics. We propose that harnessing strong light-matter coupling in vdW-integrated qBIC metasurfaces will pave the way for next-generation nanoscale polaritonic devices.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Following the Light: Enhancing Block Copolymer-Encapsulated Perovskite Nanocrystals Through In Situ Photoluminescence Measurements},

author = {P Ganswindt and E Kostyurina and L Luber and T Lorenzen and A Singldinger and J Allgaier and A Vagais and K M\"{u}ller-Caspary and B Nickel and A S Urban},

url = {\<Go to ISI\>://WOS:001709833800001},

doi = {10.1002/sstr.202500757},

year  = {2026},

date = {2026-02-23},

journal = {Small Structures},

volume = {7},

number = {2},

abstract = {This work investigates the growth mechanisms and optimization of optical properties in block copolymer (BCP)-templated MAPbBr(3) perovskite nanocrystals (PeNCs). Neutron scattering, transmission electron microscopy, and in situ optical spectroscopy studies combined with confinement-model-based size estimation of the nanocrystals during the perovskite formation revealed a complex multispecies growth behavior of BCP-templated PeNCs, which was significantly influenced and could be controlled by systematically varying the stoichiometry between polystyrene-b-poly(2-vinylpyridine) (PS-b-P2VP) and PbBr2 in the precursor, and the manner of adding the A-cation either as a dispersion in a polymer solution or dissolved in methanol. The combination of optimized precursor stoichiometry and methanol-based A-cation addition yielded narrow emission linewidths of 83 meV and photoluminescence quantum yields of up to 87%. These findings provide new mechanistic insights and practical levers for improving BCP-templated perovskite nanocrystals, paving the way for their application in future optoelectronic devices.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Influence of Platinum Thin Films on the Photophysical and Quantum Properties of Near-Surface NV Centers},

author = {J P Leibold and L M Todenhagen and M Althammer and N Khera and S Levashov and E Neu and M S Brandt and H Huebl and D B Bucher},

url = {\<Go to ISI\>://WOS:001684114500001},

doi = {10.1002/adom.202503544},

issn = {2195-1071},

year  = {2026},

date = {2026-02-09},

journal = {Advanced Optical Materials},

volume = {14},

number = {7},

abstract = {Nitrogen-vacancy (NV) centers in diamond are optically addressable spin defects with great potential for nanoscale quantum sensing. A key application of NV centers is the detection of external spins at the diamond surface. Among metals, platinum thin films - widely used in spintronics, catalysis, and electrochemistry - provide a particularly interesting system for such studies. However, the interaction between NV centers and metals is known to affect their quantum sensing capabilities. In this work, five platinum-covered diamond samples containing shallow NVs created via nitrogen implantation with different energies (2.5-60 keV) are used to investigate the optical and quantum properties of NV ensembles beneath metal films. A substantial reduction of the photoluminescence lifetime and a pronounced decrease of the NV- population are found for NV ensembles located near the diamond-platinum interface. As a result, optically detected magnetic resonance experiments could only be efficiently performed on diamonds implanted with at least 20 keV, where a strong increase in the T 2 coherence time beneath the platinum thin films is observed. The study describes the various processes affecting NV centers near diamond-platinum interfaces and provides guidance for the integration of thin metal films with near-surface NV centers.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Locally Resolved Thermally Induced Degradation of PM6:Y6-Based Organic Solar Cells},

author = {S Alam and J P Jurado and Z Xu and A D Sokeng and B Pal and M Ferree and X Y Jiang and S Simotko and G L Frey and U S Schubert and P Muller-Buschbaum and H Hoppe and F Laquai},

url = {\<Go to ISI\>://WOS:001674305400001},

doi = {10.1021/acsaem.5c03513},

issn = {2574-0962},

year  = {2026},

date = {2026-02-09},

journal = {Acs Applied Energy Materials},

volume = {9},

number = {3},

pages = {1669-1679},

abstract = {The limited thermal stability of organic solar cells has hampered their commercialization. Therefore, it is crucial to gain in-depth insight into the underlying causes of thermal device instability and to develop practical approaches to reduce its impact. In this study, we examine thermal degradation processes of the donor/acceptor system PBDB-T-2F:BTP-4F (alias PM6:Y6) in bulk heterojunction polymer/nonfullerene acceptor (NFA) solar cells, considered as a state-of-the-art system of the organic photovoltaics (OPV) technology. More specifically, this study investigates the effects of varying postproduction annealing temperatures on the performance of solar cells and locally resolves the thermally induced impact on these solar cells using a set of advanced imaging techniques, including photoluminescence imaging (PLI), electroluminescence imaging (ELI), and light beam-induced current (LBIC) measurements.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Heavy is the Crown: Crown Ether Modulation of Cobalt Porphyrin CO2 Electroreduction in Zero-Gap Electrolyzers},

author = {W Wiesner and C Wilhelm and R C Hoffmann and P Stahl and K Pellumbi and J J\"{o}kel and I Ivanovi\'{c}-Burmazovi\'{c} and U-P Apfel},

url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.202525189},

doi = {https://doi.org/10.1002/anie.202525189},

issn = {1433-7851},

year  = {2026},

date = {2026-02-02},

journal = {Angewandte Chemie International Edition},

volume = {65},

number = {11},

pages = {e25189},

abstract = {Since decades, metalloporphyrins have been studied to catalyze the electrochemical CO2 reduction (eCO2R) with the most recent studies focusing on immobilized complexes aiming for heterogeneous, scalable catalysis. However, reports for the application in industrially relevant zero-gap type electrolyzer cells (ZGEs) are especially rare. Herein we present the synthesis of four novel crown ether (CE) substituted cobalt porphyrins to benefit from an increased local cation concentration. Following their electrochemical characterization all catalysts have been tested in ZGEs. Experiments under laboratory-scale conditions (≤100 mA/cm2) revealed that the positioning of the CE influences the catalytic performance in terms of Faradaic Efficiency for CO (FECO) as well as cell voltage. A maximum selectivity for CO of 96% at 100 mA/cm2 is reached, ranking the ortho substituted complex among the best state of the art systems. Post-mortem analysis of the prepared electrodes proved that the introduction of CEs enhances the complex stability significantly. At higher current densities (≤500 mA/cm2) the positioning of the CEs is less impactful. Instead, the type and concentration of cations in the reactor play a dominant role determining reaction performance, achieving up to 43% FECO at 300 mA/cm2 with a high potassium concentration.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Local Activity and Selectivity Hotspots in Cu-Pt Model Thin-Film Electrocatalysts for Oxygen Reduction},

author = {L V Deville and R Zehl and L Saluta and Q D Liao and P M Schneider and T Piotrowiak and B Kohnen and E Suhr and A Ludwig and A S Bandarenka},

url = {\<Go to ISI\>://WOS:001672211300001},

doi = {10.1002/smtd.202502169},

issn = {2366-9608},

year  = {2026},

date = {2026-02-02},

journal = {Small Methods},

abstract = {While state-of-the-art alloy catalysts for the oxygen reduction reaction (ORR), a key process for future sustainable energy provision, rely on platinum-rich materials, alloys containing less noble metals may play an increasingly important role. In particular, Cu-Pt systems are among state-of-the-art electrocatalysts for O2 electro-reduction, demonstrating high activity and selectivity for the four-electron pathway. This study explores the behavior of Cu-Pt model thin film alloy catalysts using electrochemical scanning tunneling microscopy (EC-STM), a technique capable of detecting active sites and areas for surface catalytic processes under reaction conditions. Our findings indicate that the nature of active centers changes depending on whether the final product is H2O or H2O2, which can also be generated in parallel. Active centers are located on the (111) terraces for the four-electron ORR and shift to step defects if the hydrogen peroxide generation starts. On the other hand, the grain boundaries do not seem to contribute to the sample activity. These findings can be used in designing the shape of nanoparticles for improved nanostructured materials for energy applications.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Shot-to-shot intensity-cycling employing a Sagnac-interferometer},

author = {M Binzer and E Thyrhaug and J Hauer},

url = {\<Go to ISI\>://WOS:001688953800001},

doi = {10.1063/5.0307496},

issn = {0034-6748},

year  = {2026},

date = {2026-02-01},

journal = {Review of Scientific Instruments},

volume = {97},

number = {2},

abstract = {Transient absorption (TA) is the most prominent method to observe relaxation dynamics in the toolbox of ultrafast spectroscopy. Within the framework of time-dependent perturbation theory, TA is a third-order technique as it relies on two interactions with the pump and one with the probe field. Since the advent of ultrafast TA, researchers have struggled to limit or better quantify the contributions of higher orders, such as the fifth order, as they will emerge along the same phase matching direction as the desired third order. Intensity cycling is a recently demonstrated experimental approach to isolate third from higher order signals. It requires transient absorption spectra at a minimum of three different intensities. This is experimentally challenging as the conditions for these three experiments need to be as similar as possible for a meaningful comparison. We present a solution to this problem based on a Sagnac-interferometer. Our design allows for shot-to-shot variations of pump pulse intensities. An entire intensity cycling dataset with 290 delay times for three different pump excitation densities is recorded within 30 min. We demonstrate the feasibility of our setup on a cyanine dye in solution.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Pd-promoted reduction and restructuring of an In2O3-based catalyst for CO2 hydrogenation at room temperature},

author = {X Q Zhang and F Kraushofer and Q Yuan and Y X Wang and M Krinninger and Z K Su and H Z Gai and K Goodman and X Z Zhang and Y Wang and X Tong and T Cheng and J F Wu and B J Lechner and M Blum},

url = {\<Go to ISI\>://WOS:001638855900001},

doi = {10.1016/j.jcat.2025.116618},

issn = {0021-9517},

year  = {2026},

date = {2026-02-01},

journal = {Journal of Catalysis},

volume = {454},

abstract = {An unconventional reaction mechanism in an In2O3/Pd(1 1 1) inverse model catalyst for the CO2 hydrogenation reaction has been uncovered: In2O3 is partially reduced at room temperature in a reaction atmosphere as a result of its direct contact with Pd(1 11), which is an efficient H2 splitter. The reduction induces changes in surface free energy, leading to a dynamical restructuring at the In2O3/Pd(1 11) interface via formation of InOx and outward diffusion of Pd, as revealed by ambient pressure X-ray photoelectron spectroscopy, X-ray absorption spectroscopy and density functional theory simulations. This dynamical restructuring eventually promotes the growth of 2D InPdyOx nanodomains as the catalytically active phase and the exclusive formation of methanol upon hydrogenation of CO2 at room temperature. A comparable high selectivity toward CH3OH was found in more realistic bulk catalytic systems (2 wt% Pd/In2O3 catalyst and commercial CZA catalyst). Scanning tunneling microscopy under ultrahigh vacuum and ambient pressure reaction atmospheres further reveals the structural dynamics at the InOx/Pd(1 1 1) interface, where we follow in situ the evolution of the InOx particles on Pd(1 1 1) and the mobility of the InPdyOx nanodomains in a CO2 + H2 environment. The present findings of the formation of a mixed oxide phase in a dynamically restructuring metal/reducible-oxide interface indicate further implications for other heterogeneous catalytic systems beyond the present CO2 hydrogenation example and highlight the importance of in situ investigations.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Phase-Stable Palladium Hydride Derived from PdCoO2 for Sustainable Hydrogen Evolution Reaction},

author = {L Camuti and S Kim and F Podjaski and M Vega-Paredes and A M Mingers and T Acart\"{u}rk and U Starke and B V Lotsch and C Scheu and B Gault and S Y Zhang},

url = {\<Go to ISI\>://WOS:001683406200015},

doi = {10.1002/adfm.202514366},

issn = {1616-301X},

year  = {2026},

date = {2026-01-29},

journal = {Advanced Functional Materials},

volume = {36},

number = {9},

abstract = {Active and reliable electrocatalysts are fundamental to renewable energy technologies. PdCoO2 is recently recognized as a promising catalyst template for the hydrogen evolution reaction (HER) in acidic media, thanks to the formation of exceptionally active PdHx. In this article, the transformation process of single PdCoO2 particles during HER is monitored and elucidated, confirming their almost complete transformation to PdHx. Using operando mass spectrometry, Co dissolution from the PdCoO2 template is observed under reductive potentials, with a partial current of 0.1% of the HER current, while PdHx is formed simultaneously. High HER activity of this phase is retained with long-term operation, dry storage, or vacuum exposure. Isotope labeling of hydrogen using D2O confirms the formation of a stable PdHx phase by secondary ion mass spectrometry and down to the near-atomic scale by atom probe tomography. A separation between D-poor alpha- and D-rich beta-Pd hydrides is observed with an overall composition of beta-PdD0.64. These findings highlight the critical role of a templated growth method for obtaining stabilized PdHx, enabling Pt-like efficient HER without the commonly slow activation processes observed in Pd due to rate-limiting material hydrogenation. This offer insights into the design of more efficient electrocatalysts for renewable energy technologies.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Hot-Carrier Generation in Bimetallic Janus Nanoparticles},

author = {H W Jin and C C Xiao and M Herran and E Cortes and S W Gao and J Lischner},

url = {\<Go to ISI\>://WOS:001674320300001},

doi = {10.1021/acsnano.5c17401},

issn = {1936-0851},

year  = {2026},

date = {2026-01-29},

journal = {Acs Nano},

abstract = {Energetic electrons and holes generated from the decay of localized surface plasmons in metallic nanoparticles can be harnessed in nanoscale devices for photocatalysis, photovoltaics or sensing. In this work, we study the generation of such hot carriers in bimetallic Janus nanoparticles composed of Au, Ag and Cu using a recently developed atomistic modeling approach that combines a solution of the macroscopic Maxwell equation with large-scale quantum-mechanical tight-binding models. We first analyze spherical Janus nanoparticles whose unique hot-carrier spectrum can be associated with the spectra of the two hemispheres and the interface coupling and find that under solar illumination the Ag-Au system exhibits the highest hot-carrier generation rate. For dumbbell-shaped Janus nanoparticles, we observe a significant increase in hot-carrier generation with increasing neck size. This is caused by a dramatic enhancement of the electric field in the neck region. We also study the dependence of hot-carrier generation on the light polarization and find that the largest generation rates are obtained when the electric field is perpendicular to the interface between the two metals due to the maximal dipole coupling with the electric field. The insights from our study will guide the experimental design of efficient hot-carrier devices based on bimetallic Janus nanoparticles.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Transient Electronic Polarizability of β-Carotene from Ultrafast Terahertz Stark Spectroscopy},

author = {J Zhang and C Jaschke and B P Fingerhut and T Elsaesser},

url = {\<Go to ISI\>://WOS:001674295800001},

doi = {10.1021/acs.jpclett.5c03702},

issn = {1948-7185},

year  = {2026},

date = {2026-01-28},

journal = {Journal of Physical Chemistry Letters},

abstract = {The prototypical polyene-like beta-carotene molecule displays a substantial electric polarizability but a negligible electric dipole moment in the electronic ground state. Changes of such quantities in excited states of beta-carotene have remained unknown in liquid and/or protein environments fluctuating at ambient temperature. Here, we study the polarizability and dipole changes of beta-carotene in apolar n-hexane by ultrafast terahertz (THz) Stark spectroscopy. An external picosecond THz electric field induces a pronounced red-shift of electronic absorption on the optically allowed transition from the 11Ag ground state to the 11Bu excited state. We derive an increase in polarizability of Delta alpha = 450 +/- 80 \& Aring;3 in the 11Bu state, while the electric dipole moment changes by less than 2.7 D. Such values are in agreement with high-level electronic structure simulations that reveal pronounced non-Condon effects and a variation of polarizability with the electronic transition frequency. Transient structural inhomogeneities of the solvation shell have a minor impact on the electric behavior of beta-carotene.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {In Situ SERS Monitoring of Plasmon-Mediated Degradation of Microplastics},

author = {J Yang and M Kang and R K Chitumalla and E Cortes and J Jang and S Lee},

url = {\<Go to ISI\>://WOS:001655302800001},

doi = {10.1021/jacs.5c18907},

issn = {0002-7863},

year  = {2026},

date = {2026-01-28},

journal = {Journal of the American Chemical Society},

volume = {148},

number = {3},

pages = {3462-3471},

abstract = {Microplastics (MPs) are chemically stable and environmentally persistent pollutants that accumulate in natural ecosystems, posing potential risks to both environmental and human health. Despite growing concern, effective strategies for degrading MPs and elucidating their chemical transformations remain limited. In this study, we demonstrate plasmon-mediated degradation of polyethylene (PE) microplastics in aqueous solution using Au nanoparticle clusters (NPCs) under visible light irradiation. Nanogaps within the Au NPCs act as plasmonic hot spots, where hot carriers are generated and utilized in the degradation process, while the enhanced electromagnetic fields enable surface-sensitive detection of chemical changes via surface-enhanced Raman scattering (SERS). By leveraging the integrated catalytic and spectroscopic capabilities of Au NPCs, we conducted real-time SERS monitoring to reveal the plasmon-mediated degradation mechanism of PE MPs.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Cu-Al Layered Double Hydroxides as Precursors to Operando-Formed Dendritic Cu for Electrochemical CO2 Reduction},

author = {L Camuti and F Heck and V Sprenger and N Weiss and C Schneider and V Duppel and R K Kremer and S Bette and B V Lotsch},

url = {\<Go to ISI\>://WOS:001653511800001},

doi = {10.1021/acs.chemmater.5c01903},

issn = {0897-4756},

year  = {2026},

date = {2026-01-27},

journal = {Chemistry of Materials},

volume = {38},

number = {2},

pages = {672-682},

abstract = {The electrochemical reduction of CO2 to valuable chemicals and fuels is a promising strategy for mitigating climate change, but it requires the development of efficient and selective catalysts. We report the synthesis and characterization of a series of Cu x Al1-layered double hydroxides (LDH) (x = 1, 1.5, 2, 3), yielding a robust structural model of Cu1Al1-LDH. Combining structural, elemental, and thermal investigations leads to a precise determination of the LDH's compositions as well as an understanding of the thermal decomposition of the LDHs into (mixed-) metal oxides. During the electrochemical CO2 reduction reaction (CO2RR), we observe an operando reduction to catalytically active copper dendrites. The Cu:Al ratio is found to play a crucial role in determining the size and activity of these dendrites, enabling a tunable catalyst system with Faradaic efficiencies (FEs) for formic acid (HCOOH) reaching up to 30.5% and FE for syngas (hydrogen and carbon monoxide) of up to 72%. This study demonstrates the potential of CuAl-LDH phase engineering as a cheap and easily accessible pathway for the development of efficient electrochemical CO2 reduction catalysts.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Hydrogels as Functional Media in Photocatalytic Energy Systems: Toward Self-Sustained Green H2 Generation},

author = {M P Le Du and P Muller-Buschbaum},

url = {\<Go to ISI\>://WOS:001669600900001},

doi = {10.1021/acsenergylett.5c04112},

issn = {2380-8195},

year  = {2026},

date = {2026-01-26},

journal = {Acs Energy Letters},

abstract = {Green hydrogen (H2) production from photocatalytic water splitting is not yet scalable, and most green H2 available today is still produced by water electrolysis. One of the main limitations arises from the reaction setup, where photocatalysts must be dispersed in liquid water. Hydrogels offer an alternative platform that acts simultaneously as a water reservoir and a host matrix for photocatalyst dispersion, supplying the water (H2O) required for water splitting while preventing catalyst aggregation. When designed appropriately, catalyst-loaded hydrogels can operate in a self-sustained manner. This Perspective discusses strategies to improve catalyst dispersion and to preserve the swelling behavior that maintains water availability. Polymer networks tailored for long-term water retention can prevent dehydration and sustain H2O feedstock during diurnal hygrometric cycles. Approaches for dark photocatalysis are also considered to enable H2 production during the night. Finally, advanced scattering techniques are highlighted as essential tools to probe the morphology and dynamics that govern the performance of these hydrogel systems.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Landing-Energy-Controlled Surface Conformation of Electrosprayed Foldamer Molecules on Au(111)},

author = {S M Zhang and D Meier and P Lawes and P F Zhao and J H Wang and V Maurizot and A Walz and A Huettig and H Schlichting and A C Papageorgiou and J Reichert and I Huc and J V Barth},

url = {\<Go to ISI\>://WOS:001664829700001},

doi = {10.1021/acsnano.5c12973},

issn = {1936-0851},

year  = {2026},

date = {2026-01-24},

journal = {Acs Nano},

abstract = {Preserving the structural integrity of biomimetic foldamers upon surface deposition is essential for their integration into functional molecular architectures and devices. When assembled in well-ordered monolayers, these molecules can exhibit distinctive characteristics. In this study, we investigate the electrospray-controlled ion beam deposition of foldamer molecules in an ultrahigh vacuum (UHV) environment on an Au(111) surface and examine how their conformation depends on the mean landing energy during deposition. At a low mean landing energy of about 0.6 eV, intact foldamers are observed on the surface, whereas higher landing energies predominantly result in unfolded molecules and partially folded states. Additionally, annealing of the substrate converts folded conformations into unfolded ones. These results highlight the importance of soft-landing conditions to maintain hydrogen-bond-stabilized architectures on surfaces, offering a model platform for studying the structure-function relationship of surface-supported thermolabile biomolecules.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Single-Atom Halogen Substitution in Covalent Organic Frameworks Enables σ-Hole-Driven CO2 Adsorption},

author = {K Paliusyte and K J Liu and K Roztocki and S Sun and H Zipse and J Schneider},

url = {\<Go to ISI\>://WOS:001670808700001},

doi = {10.1021/acs.chemmater.5c03215},

issn = {0897-4756},

year  = {2026},

date = {2026-01-22},

journal = {Chemistry of Materials},

abstract = {Covalent organic frameworks (COFs) are promising materials for CO2 adsorption owing to their tunable porosity and modular functionality. The detailed atomic-scale understanding of CO2 adsorption has yet to be achieved. Here, we report a systematic study on halogenated N,N,N ',N '-tetraphenyl-1,4-phenylenediamine (Wurster, W)-anthracene (A) COFs (W-A-X},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Reorientation-Driven Degradation in Oriented Perovskite Films: Shifting Facet Engineering to Thermodynamic Stability},

author = {X J Ci and X Z Jiang and G J Pan and K Sun and A Buyan-Arivjikh and Z R Li and L X Li and T Baier and M Schwartzkopf and S K Vayalil and P M\"{u}ller-Buschbaum},

url = {\<Go to ISI\>://WOS:001662470900001},

doi = {10.1002/smll.202513081},

issn = {1613-6810},

year  = {2026},

date = {2026-01-21},

journal = {Small},

abstract = {Hybrid perovskite solar cells (PSCs) suffer from underexplored links between crystallographic orientation and thermal stability, especially in narrow-bandgap devices. We fabricate highly oriented mixed Sn-Pb perovskite films via an additive-free two-step method. Accelerated aging studies at 120 degrees C reveal that high orientation paradoxically compromises stability, and PSCs built from highly oriented perovskite films retain only 73% of their initial power conversion efficiency (PCE), compared to 89% PCE in less-oriented devices. Operando grazing-incidence wide-angle X-ray scattering of the PSCs shows that thermal stress induces significant reorientation and lattice distortion in the oriented crystallites, accumulating pronounced microstrain that accelerates the PSC degradation. Structural analyses confirm progressive crystallographic transitions, including grain reconfiguration, shifts toward isotropy, and systematic diffraction migrations. Critically, we demonstrate that metastability is an intrinsic consequence of high crystallographic order, which is why the very high alignment strategies that enhance performance induce thermodynamic vulnerability. This necessitates redesigning crystal engineering priorities where suppressing instability requires engineering thermodynamic equilibrium states over maximizing alignment for stable perovskite photovoltaics.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Solar-Driven H2O2 Production Catalyzed by Natural Wood},

author = {X X Chen and T Zhang and W J Tian and S X Liu and S J Li and J Li and H Y Zhang and E Cortes and Z J Chen},

url = {\<Go to ISI\>://WOS:001654456600001},

doi = {10.1021/acscatal.5c06295},

issn = {2155-5435},

year  = {2026},

date = {2026-01-16},

journal = {Acs Catalysis},

volume = {16},

number = {2},

pages = {1103-1116},

abstract = {Hydrogen peroxide (H2O2) is widely used as an oxidant in various industries. Solar-driven H2O2 production offers a promising approach. However, existing photocatalysts are either challenging to scale up or rely on nonabundant and costly materials/processes. Here, we demonstrate that eight types of natural wood, particularly Whitewood, exhibit superior photocatalytic performance to isolated lignin, enabling H2O2 generation. This enhancement is attributed to the higher content of beta-O-4 linkages in wood-derived lignin, which promotes efficient charge separation, and the crystalline structure of the wood matrix, which facilitates charge transport and supports the formation of highly active triplet excitons. The nanoscale hierarchical structure of natural wood, evolved over hundreds of millions of years, is a "perfect composite material" whose performance far surpasses that of single-component lignin. Its honeycomb-like porous structure and aligned fibrous nanostructures endow it with superior optical properties, water and ion transport capabilities, and photocatalytic performance. As a result, natural wood achieves a H2O2 production of 695 mu M h(-1) under 1 sun irradiation, 2.2 times higher than that of isolated lignin. Furthermore, we demonstrate the direct use of natural wood as a solar-driven reactor for efficient desalination and H2O2 production from seawater (950 mu M h(-1)) and as a photoactivated antibacterial material. This work pioneers the application of natural wood in photocatalysis, offering a scalable and eco-friendly strategy for solar-driven oxidation processes.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Electrochemical and Computational Insights into Lithium Nucleation on Single-Crystal Copper for Anode-Free Li-Metal Batteries},

author = {K Cicvaric and L Mannich and D Blum and W Hu and S Suttor and V Alexandrov and A S Bandarenka},

url = {\<Go to ISI\>://WOS:001655286100001},

doi = {10.1021/acs.jpcc.5c07557},

issn = {1932-7447},

year  = {2026},

date = {2026-01-15},

journal = {Journal of Physical Chemistry C},

volume = {130},

number = {2},

pages = {1096-1104},

abstract = {Anode-free lithium (Li) metal batteries promise high energy density due to the absence of graphite on the anode side, whereby Li is directly electroplated onto the current collector during charging. Copper (Cu) foil is commonly used as a current collector; however, dendritic growth, which can cause catastrophic failure, is often observed. Optimizing nucleation is one of the proposed strategies for obtaining smooth, dendrite-free Li deposits. This work investigates nucleation of Li onto a Cu(111) single crystal by electrochemical impedance spectroscopy (EIS) and density functional theory (DFT) calculations. EIS allows for the monitoring of kinetic deposition parameters (k app (t,E)) as a function of potential and time, offering a more profound insight into early stage deposition mechanisms. It is shown that k app (t,E) decreases with increasing deposition potential, while over the course of deposition a decrease can be observed during the initial stages of deposition. Furthermore, DFT calculations show a decreasing trend in adsorption strength with Li coverage, providing additional atomistic insights into the decreasing time-dependent behavior of the kinetic parameters.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Ferroelectric Control of Interlayer Excitons in 3R-MoS2/MoSe2 Heterostructures},

author = {J Schwandt-Krause and M E Miloudi and E Blundo and S Deb and J N Heidkamp and K Watanabe and T Taniguchi and R Schwartz and A Stier and J J Finley and O Kuhn and T Korn},

url = {\<Go to ISI\>://WOS:001644778200001},

doi = {10.1021/acs.nanolett.5c04932},

issn = {1530-6984},

year  = {2026},

date = {2026-01-14},

journal = {Nano Letters},

volume = {26},

number = {1},

pages = {214-221},

abstract = {We investigate the interaction between interlayer excitons and ferroelectric domains in hBN-encapsulated 3R-MoS2/MoSe2 heterostructures, combining photoluminescence experiments with density functional theory and many-body Green's function calculations. Low-temperature photoluminescence spectroscopy reveals a strong redshift of the interlayer exciton energy with increasing MoS2 layer thickness, attributed to band renormalization and dielectric effects. We observe local variations in exciton energy that correlate with local ferroelectric domain polarization of the 3R-MoS2 layer, showcasing distinct domain-dependent interlayer exciton transition energies. Gate voltage experiments demonstrate that the interlayer exciton energy can be tuned by electrically induced domain switching. These results highlight the potential for interlayer exciton control by local ferroelectric order and establish a foundation for future ferroelectric optoelectronic devices based on van der Waals heterostructures.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {The Power of Catalytic Centers and Ascorbate in Boosting the Photocatalytic Hydrogen Evolution Performance of TpDTz 2D-COF},

author = {D Reyes-Mesa and P Sarro and M F Gusta and A Jimenez-Solano and S Das and B P Biswal and H A Vignolo-Gonzalez and L Velasco-Garcia and A Llobet and N G Bastus and V Puntes and A Vallribera and R Pleixats and A Granados and B V Lotsch and C Gimbert-Surinach},

url = {\<Go to ISI\>://WOS:001645748300001},

doi = {10.1021/jacs.5c17806},

issn = {0002-7863},

year  = {2026},

date = {2026-01-14},

journal = {Journal of the American Chemical Society},

volume = {148},

number = {1},

pages = {1316-1328},

abstract = {The photocatalytic hydrogen evolution activity of a model 2D covalent organic framework (TpDTz) containing a thiazolo[5,4-d]thiazole (DTz) electron acceptor and triformylphloroglucinol (Tp) electron donor groups is enhanced by combining it with well-defined catalytic centers and suitable sacrificial electron donors. Platinum nanoparticles (PtNPs) with an average diameter of 2.7 +/- 0.4 nm achieve rates up to 106 000 mu mol H2 g-1 h-1 (5% Pt w/w). The best system requires the use of ascorbic acid/ascorbate buffer, which has been demonstrated to enhance the photoluminescence of TpDTz by forming aggregates while efficiently extracting charges from the excited TpDTz (TpDTz*). The productive charge extraction by the PtNPs from TpDTz* is also supported by steady state and time-resolved photoluminescence studies. All these factors combined with the high catalytic activity of PtNPs catalytic centers lead to the high performance of the overall system. In addition, a noble metal-free molecular catalyst based on a tetraazamacrocyclic cobalt complex has been identified as a good alternative catalyst candidate, efficiently quenching TpDTz photoluminescence. Under optimal conditions, the cobalt-based system achieves catalytic rates of 10 400 mu mol H2 g-1 h-1 (1% Co w/w), which is only three times slower than the noble metal-based PtNPs system (1% Pt w/w, 28 300 mu mol H2 g-1 h-1). By using controlled catalytic centers, it was possible to identify the factors limiting the hydrogen evolution photocatalytic activity of TpDTz allowing one to minimize undesired pathways and enhancing its performance by 2 orders of magnitude.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Gas Quenching under Ambient Conditions for Efficient and Stable Wide-Bandgap Perovskite Solar Cells with Surface Passivation},

author = {Z N Jin and X Z Jiang and Z R Li and X J Ci and G J Pan and L X Li and J S Zhang and X Y Jiang and S K Vayalil and K Sun and S V Roth and P M\"{u}ller-Buschbaum},

url = {\<Go to ISI\>://WOS:001651832800001},

doi = {10.1021/acsami.5c21175},

issn = {1944-8244},

year  = {2026},

date = {2026-01-14},

journal = {Acs Applied Materials \& Interfaces},

volume = {18},

number = {1},

pages = {1702-1713},

abstract = {Wide-bandgap perovskite solar cells play a key role in tandem solar cells, which aim to overcome the Shockley-Queisser limit for single-junction solar cells. In this work, we develop and optimize a gas quenching method under ambient conditions for the fabrication of wide-bandgap (1.77 eV) perovskite films. To improve the performance of PSCs, three different organic spacer cations, including aromatic amino molecules (PEAI), aliphatic amino with long alkyl chain molecules (OAI), and short alkyl chain molecules (BAI), are applied and investigated as surface passivation materials. As a result, the 2D perovskite layers form on top of the 3D perovskite films. The n-i-p devices with PEAI passivation exhibit the highest photovoltaic performance with a champion power conversion efficiency (PCE) of 16.26% along with a high V oc of 1.21 V, exceeding the control device (PCE = 13.42%, V oc = 1.15 V), and maintaining 88% of its initial PCE after 120 min of continuous illumination under a nitrogen atmosphere at room temperature. This work offers a guide for the fabrication of wide-bandgap PSCs under ambient conditions and the choice of organic spacer cations for passivation.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Enhanced Photocatalytic Hydrogen Evolution via Multi-Scattering of Incident Light by Embedded Cellulose Nanocrystal Nanoparticles in Hybrid Hydrogels Containing g-C3N4/Pt Nanosheets},

author = {T C Chen and J Yu and N Hu and W J Wang and L Lei and H Q Fan and P M\"{u}ller-Buschbaum and Q Zhong},

url = {\<Go to ISI\>://WOS:001677689000014},

doi = {10.1002/solr.202500878},

issn = {2367-198X},

year  = {2026},

date = {2026-01-10},

journal = {Solar Rrl},

volume = {10},

number = {1},

abstract = {Enhanced photocatalytic hydrogen (H-2) evolution is realized by improving light harvesting via the multiscattering of incident light from embedded cellulose nanocrystal (CNC) nanoparticles in hybrid hydrogels. Due to the different refractive indices of CNC nanoparticles and hybrid acrylate-based hydrogels, instead of direct penetration through the hybrid hydrogels, the incident light can be multiscattered by the CNC nanoparticles in the hybrid hydrogels. It significantly improves the light harvesting capability and favors the photocatalytic H-2 evolution. In addition, the CNC nanoparticles possess a certain number of negative charges, which is beneficial for the efficient separation of photogenerated charge carriers and enhancement of H-2 evolution performance. Hence, the averaged H-2 evolution rate of hybrid hydrogels embedded with 0.5 wt% of CNC (CNC0.5) can reach 2266 mu mol g(-1) h(-1), which is 154% of that of the hybrid hydrogels without CNC nanoparticles. Further increasing the amount of embedded CNC nanoparticles, the photocatalytic H-2 evolution is reduced. It can be attributed to the aggregation of nanoparticles, which reduces the specific surface area and lowers the light harvesting. Based on the improved H-2 evolution performance, the g-C3N4/Pt hydrogels embedded with CNC nanoparticles can be used for H-2 production in areas rich in solar energy but lack of water.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Elucidating the origin of open-circuit voltage in ternary organic solar cells with a nonfullerene and a fullerene acceptor},

author = {D Bl\"{a}tte and M G\"{u}nther and Jr. C S Ponseca and A Weis and R Hooijer and L Quincke and M T Cachafeiro and W Tress and J D Perea and S Leon and A Shuaib and P Chabera and T Pullerits and T Bein and T Ameri},

url = {\<Go to ISI\>://WOS:001653918600001},

doi = {10.1002/inf2.70109},

year  = {2026},

date = {2026-01-10},

journal = {Infomat},

abstract = {With organic solar cells surpassing 20% efficiency, the focus is shifting toward understanding the more complex mechanisms in ternary blends. This work investigates the distinct working principles of ternary organic solar cells based on a polymer donor (D) and a nonfullerene acceptor (NFA), with a fullerene acceptor (FA) as the third component. A systematic comparison between ternary D:NFA:FA systems, with different components and compositions, and D:NFA:NFA systems was conducted. In all systems, the open-circuit voltage increased with a higher fullerene ratio, correlating with the fullerene's LUMO position, indicating its involvement in charge transfer (CT) state formation. Various analytical methods and simulations reveal that the investigated D:NFA:FA systems follow an alloy model, where the CT state is delocalized over both acceptors, even in systems with strong surface energy differences between the acceptors. Notably, recombination behavior is largely unaffected by the nature of the third component and is primarily linked to the CT state energy. Based on the internal quantum efficiency characteristics, we propose that the positive effect of fullerenes as third components arises not from reduced nonradiative recombination as often suggested but from more efficient exciton splitting.image},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Facet-Dependent Doping and Dopant-Dependent Faceting in Si-Doped GaAsSb Nanowires},

author = {C E Mead and R Zell and J E Deriseis and H W Jeong and T Schreitmuller and H Esmaielpour and S Sturm and M K Y Chan and K Muller-Caspary and G Koblmuller and L J Lauhon},

url = {\<Go to ISI\>://WOS:001643573100001},

doi = {10.1021/acs.cgd.5c00885},

issn = {1528-7483},

year  = {2026},

date = {2026-01-07},

journal = {Crystal Growth \& Design},

volume = {26},

number = {1},

pages = {96-105},

abstract = {In this work, we correlate the spatial distributions of Si, Sb, and rotational twins in Si-doped GaAs1-x Sb x nanowires. GaAs1-x Sb x nanowires were grown epitaxially on Si(111) substrates by tuning process conditions to achieve repeated nucleation of rotational twins and growth along the [111]B direction; dilute Sb and Si fluxes were chosen to create a sufficient twin density to achieve a high yield while avoiding the growth of the wurtzite phase. While the impact of Si and Sb on twin density and nanowire growth rate has been previously reported, the facet-dependent incorporation of these species has not been established. Scanning transmission electron microscopy was used to confirm that Sb incorporates preferentially on the (111)B facets relative to 110 facets prior to nucleation of a rotational twin. With periodic twinning, this facet dependence leads to alternating regions of enriched and depleted Sb concentrations attributed to a growth rate-dependent Sb-As-exchange mechanism. Atom probe tomography measurements establish that while Si doping is not perturbed by twinning on (111)B facets, Si and Sb concentrations are anticorrelated for growth on non-(111)B facets. Density functional theory calculations underpin a thermodynamic model that explains the observed anisotropies in the dopant incorporation.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Ten times of LiNO3 solubility increase in co-solvents free ester-based carbonate electrolytes enables 450 Wh/kg lithium metal batteries},

author = {Z J Xu and M L Peng and G J Pan and T L Zheng and Y Y Xiao and W P Xie and Y H Li and J Gao and S S Yin and Q Ji and B H Wu and Y Miao and S Q Shi and Y J Cheng and Y G Xia and P M\"{u}ller-Buschbaum},

url = {\<Go to ISI\>://WOS:001641756900001},

doi = {10.1016/j.ensm.2025.104779},

issn = {2405-8297},

year  = {2026},

date = {2026-01-01},

journal = {Energy Storage Materials},

volume = {84},

abstract = {LiNO3 is a promising additive for high-energy-density lithium metal batteries (LMBs) via regulating the solid electrolyte interphase (SEI) layer. However, the extremely low solubility of LiNO3 in carbonate ester-based electrolytes limits applications. In this study, a two-step physical method successfully dissolves 0.1 M LiNO3 into carbonate ester-based electrolytes without co-solvents (similar to 10 x higher solubility than conventional systems), where EC disrupts Li+-NO3- interactions and the subsequent mixing with a preformed LiFSI/LiPF6-DMC/FEC electrolyte releases part of the coordinated species, increasing entropy, while the remaining solvents/anions stabilize Li+ - making the process both enthalpically and entropically favorable. This facile, scalable, cost-effective way is confirmed by theoretical simulation and experimental investigations. With the synergistic effect of 4-fluoro-1,3-dioxolan-2-one (FEC), the NO3- anions preferentially enter the Li+ solvation layer. Therefore, the enhanced SEI layer with LiF, LixC, and Li2O homogenizes lithium deposition. The robust cathode-electrolyte interphase (CEI) composed of NSOxFy and LiF supports high-voltage Ni-rich cathodes. Notably, Li||LiNi0.83Mn0.06Co0.11O2 cells retain 82.5 % capacity after 300 cycles at 1 C (1 C = 200 mA g(-1)) with a 4.3 V cut-off voltage and an 85.5 % capacity after 100 cycles at 1 C with a 4.5 V cut-off voltage. Importantly, a pouch cell with 450 Wh kg(-1) energy density further demonstrates the practical potential in industry. Additionally, this strategy also demonstrates the potential application of LiNO3 in some carbonated ester-based electrolytes for other alkali metal batteries.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Promoting Formation and Suppressing Decomposition of H2O2 via Photocarrier Flow at Au@TiO2 Interfaces},

author = {Y C Kang and Y Tan and W J Tian and H Y Zhang and Q Chen and J Wang and O Henrotte and D Kammerer and Q A Akkerman and C H Fan and D Y Xie and L Zhu and J W Fu and M Liu and E Cortes},

url = {\<Go to ISI\>://WOS:001621075100001},

doi = {10.1021/jacs.5c14650},

issn = {0002-7863},

year  = {2025},

date = {2025-12-24},

journal = {Journal of the American Chemical Society},

volume = {147},

number = {51},

pages = {47244-47254},

abstract = {Hydrogen peroxide (H2O2) is an attractive green oxidant and energy carrier, but its industrial production remains energy- and resource-intensive. Photocatalytic synthesis from O2 and H2O offers a safer and more sustainable alternative, yet its efficiency is hampered by sluggish formation and rapid decomposition pathways. Here, we demonstrate a plasmon-engineered strategy to overcome both challenges using Au@TiO2 core-shell nanostructures. The nanocubic Au@TiO2 (NC@TiO2) achieves a remarkable H2O2 production rate of 350.5 mM h-1g-1 under full-spectrum irradiation -1.6 times higher formation and 47% lower decomposition compared to bare TiO2. Spectroscopic analysis and simulations reveal that localized surface plasmon resonance (LSPR) in the Au core orchestrates photocarrier dynamics: electrons generated in TiO2 are funneled to Au sites to drive O2 reduction, while plasmonic hot electrons neutralize TiO2 holes that would otherwise decompose H2O2. The morphology dependence of this effect is evident: NC@TiO2 with stronger LSPR outperforms rhombic dodecahedral Au@TiO2. These results establish plasmon-mediated charge steering as a powerful tool to enhance both efficiency and selectivity in solar-to-chemical conversion, providing a design principle for next-generation photocatalysts.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Computation-Guided Dual-Site Electrocatalysts for Record-Performance Nitrite-to-Ammonia Conversion},

author = {H Zhang and H Y Duan and D L Han and Z L Wang and X C Li and D C Peng and L P Han and T T Pang and E Pensa and W Q Qu and Y J Shen and H T Wang and W Ren and M Xie and E Cort\'{e}s and D S Zhang},

url = {\<Go to ISI\>://WOS:001640581500001},

doi = {10.1002/advs.202520683},

year  = {2025},

date = {2025-12-22},

journal = {Advanced Science},

abstract = {Designing catalysts that can simultaneously accelerate reactant activation and hydrogenation remains a central challenge in electrochemical ammonia synthesis. Here, a computation-guided, dual-site electrocatalyst design strategy that bridges first-principles theory with device-level validation is reported. Guided by density functional theory, Cu-doped ZnO is identified as an optimal dual-site platform: Cu sites upshift the Zn d-band center, strengthening *NO2 adsorption and enabling facile deoxygenation, while ZnO sites promote water dissociation to supply protons at the reaction interface. This cooperative synergy precisely tunes nitrite activation and hydrogenation kinetics, suppressing competing hydrogen evolution. The resulting catalyst achieves a record NH3 yield of 552.16 mg h-1 cm-2 with 87.9% Faradaic efficiency in a membrane electrode assembly-4x and 18x higher than flow- and H-cell configurations, respectively. Operando spectroscopy confirms the predicted mechanism, demonstrating a theory-to-device workflow that replaces trial-and-error with predictive catalyst design. This approach establishes a generalizable paradigm for developing advanced electrocatalysts for sustainable chemical transformations.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Coexistence of weak and strong coupling in a photonic molecule through dissipative coupling to a quantum dot},

author = {S Lichtmannecker and S Echeverri-Arteaga and M Kaniber and I C A Martelo and J Ruiz-Rivas and T Reichert and G Reithmaier and P L Ardelt and M Bichler and E Z Casalengua and E A Gomez and H Vinck-Posada and E Del Valle and K M\"{u}ller and F P Laussy and J J Finley},

url = {\<Go to ISI\>://WOS:001625432400001},

doi = {10.1515/nanoph-2025-0379},

issn = {2192-8606},

year  = {2025},

date = {2025-12-22},

journal = {Nanophotonics},

volume = {14},

number = {27},

pages = {5163-5175},

abstract = {We study the emission from a molecular photonic cavity formed by two proximal photonic crystal defect cavities containing a small number ( \< 3 ) of In(Ga)As quantum dots. Under strong excitation, we observe photoluminescence from the bonding and antibonding modes in agreement with ab initio numerical simulations. Power dependent measurements, however, reveal an unexpected peak, emerging at an energy between the bonding and antibonding modes of the molecule. Temperature-dependent measurements indicate that this unexpected feature is photonic in origin. Time-resolved measurements show the emergent peak exhibits a lifetime tau M = 0.75(10) ns, similar to both bonding and antibonding coupled modes. Comparisons of experimental results with quantum optical modeling suggest that this new feature arises from a coexistence of weak and strong coupling, due to the molecule emitting in an environment whose configuration permits or, on the contrary, impedes its strong coupling. This scenario is reproduced theoretically with a master equation reduced to the key ingredients of its dynamics and that roots the mechanism to a dissipative coupling between bare modes of the system. Excellent qualitative agreement is obtained between experiment and theory, showing how solid-state cavity QED can reveal intriguing new regimes of light-matter interaction.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}