Über e-conversion

@article{nokey,

title = {Synthetic Surface Design of Transparent Electrodes for Enhanced Molecular Contact in Perovskite Solar Cells},

author = {R Hooijer and S Kim and S Klenk and H Zhu and C Yilmaz and Y Yalcinkaya and D Im and A S Backeberg and J Huang and M Bouraoui and A Buyruk and E Ugur and C Maheu and A Hartschuh and F Laquai and L Schmidt‐Mende and G S Duesberg and S Lee and E Aydin},

url = {\<Go to ISI\>://WOS:001742244200001},

doi = {10.1002/aenm.70962},

issn = {1614-6832},

year  = {2026},

date = {2026-04-16},

journal = {Advanced Energy Materials},

abstract = {Self-assembled molecules (SAMs) as a molecular charge selective contact and interface with metal oxides are the new benchmark in p-i-n devices. Yet, transparent electrode (i.e., ITO) surface preparation is often performed with established protocols that do not exploit the full potential of self-assembly. We introduce a simple, solution-based ITO surface treatment strategy that enables improved contact formation by simultaneously tuning surface chemistry, conductivity and homogeneity. Contrary to the prevailing assumption that maximizing surface hydroxylation is the key for phosphonic-acid-based SAMs, we show that synthetic design with moderate hydroxyl and hydroxide content yields more uniform and electronically favourable interfaces for SAM anchoring. Electronically, the resulting contacts enable enhanced charge extraction, while offering improved layer homogeneity and operational stability. The treated interfaces further demonstrate improved resilience under extreme thermal cycling between -80 degrees C and 80 degrees C, relevant for low-earth-orbit (LEO) space operation. Importantly, we demonstrated the broad applicability of our approach across various materials, fabrication environments, and device structures, including single junction and tandem solar cells. These findings establish surface preparation as a design parameter on par with molecular engineering for robust perovskite optoelectronic devices.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Disentangling Vibronic Coupling and Conformational Disorder in Flexible NDI-T2 Donor-Acceptor Co-Oligomers},

author = {M F X Dorfner and A Kumar and E Thyrhaug and R Matsidik and M Sommer and J Hauer and F Ortmann},

url = {\<Go to ISI\>://WOS:001741534400001},

doi = {10.1002/adom.202503727},

issn = {2195-1071},

year  = {2026},

date = {2026-04-16},

journal = {Advanced Optical Materials},

abstract = {The unusually broad and intense visible (Vis) absorption band observed in naphthalenediimide-bithiophene (NDI-T2) co-polymers reflects complex electronic and vibronic interactions between donor and acceptor units. While the charge-transfer character arising from electronic coupling across the moieties likely contributes to the red-shifted absorption, the pronounced spectral broadness may also originate from strong coupling to vibrations or from conformational diversity within the polymer. Distinguishing the relative roles of these effects-electronic, vibronic, and environmental-requires a quantitative theory that can treat multiple electronic and excitonic states and their coupling to many vibrational modes without resorting to simplified models. Here, we address this challenge by focusing on well-defined NDI-T2 co-oligomers and employing a first-principles-parameterized linear vibronic coupling model combined with a matrix product state (MPS) approach, which allows us to treat dozens of excitons and strongly coupled vibrational modes in full quantum detail. This enables a direct, quantitative link between molecular geometry, vibrational structure, and the experimentally observed ultraviolet-visible (UV-vis) absorption and fluorescence anisotropy spectra, going beyond the capabilities of standard excited-state modeling approaches and providing a microscopic framework for understanding optical line shapes in flexible donor-acceptor materials.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nokey,

title = {Tuning Optoelectronic Properties in Isoreticular Three-Dimensional Fully Conjugated Covalent Organic Frameworks},

author = {I Munoz-Alonso and S Reuter and T H Xue and D Bessinger and R Guntermann and D D Medina and T Bein},

url = {\<Go to ISI\>://WOS:001730239900001},

doi = {10.1021/acs.chemmater.5c03344},

issn = {0897-4756},

year  = {2026},

date = {2026-04-14},

journal = {Chemistry of Materials},

volume = {38},

number = {7},

pages = {3536-3544},

abstract = {The emerging class of fully conjugated three-dimensional (3D) covalent organic frameworks (COFs) has attracted significant attention as a promising family of organic semiconductor materials. These materials possess a remarkable ability for pi-electronic delocalization due to extended pi-conjugation throughout the entire framework. Here, we report the synthesis of a phenyl-extended cyclooctatetrathiophene (COTh) core functionalized with amino groups. This functionalization represents a significant step forward in the development of this materials class, as amino groups offer great versatility for forming imine bonds with a variety of well-established linkers in traditional 2D COFs-such as thieno[3,2-b]thiophene-2,5-dicarboxaldehyde (TT) and benzo[1,2-b:4,5-b ']dithiophene-2,6-dicarboxaldehyde (BDT)-but have not yet been explored in 3D COFs. By employing modulator agents during the polycondensation step, highly crystalline frameworks were obtained. The porosity and intrinsic structural properties of the resulting thiophene-based, fully conjugated 3D COFs were verified by nitrogen adsorption, confirming the successful translation of the initial design into the final architectures. Furthermore, this study expands the scope to optoelectronic characterization, demonstrating the ability to precisely tune the optical bandgap within a range of +/- 0.19 eV and to modulate the redox behavior within the overall framework. Together, these advances highlight a robust strategy for engineering next-generation 3D COFs with programmable structure-property relationships.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}