Projekte: EXC 2089: e-conversion

Yao, Yuxuan ; Han, Dan ; Spooner, Kieran B. ; Jia, Xiaoyu ; Ebert, Hubert ; Scanlon, David O. ; Oberhofer, Harald:
Adapting Explainable Machine Learning to Study Mechanical Properties of 2D Hybrid Halide Perovskites.
In: Advanced Functional Materials. Bd. 35 (2025) Heft 1 . - 2411652.
DOI: https://doi.org/10.1002/adfm.202411652

Chau, Thanh G. ; Han, Dan ; Wolf, Florian ; Rudel, Stefan S. ; Yao, Yuxuan ; Oberhofer, Harald ; Bein, Thomas ; Ebert, Hubert ; Schnick, Wolfgang:
Defect Imide Double Antiperovskites AE₅AsPn(NH)₂ (AE=Ca, Sr; Pn=Sb, Bi) as Potential Solar Cell Absorber Materials.
In: Angewandte Chemie International Edition. Bd. 64 (2025) Heft 17 . - e202500768.
DOI: https://doi.org/10.1002/anie.202500768

Blahusch, Jakob ; Jakob, Konstantin S. ; Margraf, Johannes T. ; Reuter, Karsten ; Lotsch, Bettina V.:
Predict before You Precipitate : Learning Templating Effects in Hybrid Antimony and Bismuth Halides.
In: Chemistry of Materials. Bd. 37 (2025) Heft 14 . - S. 5027-5035.
DOI: https://doi.org/10.1021/acs.chemmater.5c00350

Yao, Yuxuan ; Oberhofer, Harald:
Designing building blocks of covalent organic frameworks through on-the-fly batch-based Bayesian optimization.
In: The Journal of Chemical Physics. Bd. 161 (2024) Heft 7 . - 074102.
DOI: https://doi.org/10.1063/5.0223540

Vogel, Anna ; Rabenbauer, Alfred ; Deng, Philipp ; Steib, Ruben ; Böger, Thorben ; Zeier, Wolfgang G. ; Siegel, Renée ; Senker, Jürgen ; Daisenberger, Dominik ; Nisi, Katharina ; Holleitner, Alexander W. ; Venturini, Janio ; Nilges, Tom:
A Switchable One-Compound Diode.
In: Advanced Materials. Bd. 35 (2023) Heft 2 . - 2208698.
DOI: https://doi.org/10.1002/adma.202208698