Projekte: EXC 2089: e-conversion

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

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

Dembélé, Kassiogé ; Wang, Jihao ; Boniface, Maxime ; Folke, Jan ; Sandoval Diaz, Luis ; Girgsdies, Frank ; Hammud, Adnan ; Kordus, David ; Koch, Gregor ; Gheisari, Zahra ; Blume, Raoul ; Jiang, Wulyu ; Knop-Gericke, Axel ; Eckert, Rene ; Reitmeier, Stephan ; Reitzmann, Andreas ; Schlögl, Robert ; Roldan Cuenya, Beatriz ; Timoshenko, Janis ; Ruland, Holger ; Lunkenbein, Thomas:
The Haber Bosch Catalyst from Solid state Chemistry to Mesotechnology.
In: Advanced Energy Materials. Bd. 15 (2025) Heft 33 . - 2500159.
DOI: https://doi.org/10.1002/aenm.202500159

Sandoval Diaz, Luis ; Götsch, Thomas ; Cruz, Daniel ; Vuijk, Maurits ; Lombardi, Juan M. ; Pietsch, Markus ; Dembélé, Kassiogé ; Hammud, Adnan ; Reuter, Karsten ; Scheurer, Christoph ; Knop-Gericke, Axel ; Lunkenbein, Thomas:
Stabilizing Frustrated Phase Transitions in Selective Oxidation Reactions.
In: Advanced Materials. Bd. 38 (2026) Heft 8 . - e15292.
DOI: https://doi.org/10.1002/adma.202515292

Sandoval Diaz, Luis ; Blume, Raoul ; Dembélé, Kassiogé ; Folke, Jan ; Boniface, Maxime ; Girgsdies, Frank ; Hammud, Adnan ; Gheisari, Zahra ; Ivanov, Danail ; Eckert, René ; Reitmeier, Stephan ; Reitzmann, Andreas ; Schlögl, Robert ; Roldan Cuenya, Beatriz ; Ruland, Holger ; Knop-Gericke, Axel ; Lunkenbein, Thomas:
Decoding technical multi-promoted ammonia synthesis catalysts.
In: Nature Communications. Bd. 16 (2025) . - 7820.
DOI: https://doi.org/10.1038/s41467-025-63061-6

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

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

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

Öztuna, Eylül ; Götsch, Thomas ; Cruz, Daniel ; Zeller, Patrick ; Vinogradova, Olga V. ; Li, Zehua ; Rohner, Christian ; Schmidt, Franz-Philipp ; Gheisari, Zahra ; Steigert, Alexander ; Muske, Martin ; Hävecker, Michael ; Stotz, Eugen ; Antonyshyn, Iryna ; Girgsdies, Frank ; Timpe, Olaf ; Lunkenbein, Thomas ; Bukas, Vanessa J. ; Reuter, Karsten ; Schlögl, Robert ; Skorupska, Katarzyna ; Knop-Gericke, Axel ; Roldán Cuenya, Beatriz:
Operando X-ray Spectroscopy Study of Pd and Pd-Au Laterally Condensed Catalysts during Selective Acetylene Hydrogenation : The Role of Carbon.
In: Advanced Materials. Bd. 38 (2026) Heft 11 . - e17227.
DOI: https://doi.org/10.1002/adma.202517227