Böller, Bernhard;Zeller, Patrick;Günther, Sebastian;Wintterlin, Joost
High-Pressure CO Phases on Co(0001) and Their Possible Role in the Fischer–Tropsch Synthesis
ACS Catalysis
2020
10
20
12156-12166

Li, Haobo;Reuter, Karsten
Active-Site Computational Screening: Role of Structural and Compositional Diversity for the Electrochemical CO2 Reduction at Mo Carbide Catalysts
ACS Catalysis
2020
10
20
11814-11821

Stocker, Sina;Csányi, Gábor;Reuter, Karsten;Margraf, Johannes T.
Machine learning in chemical reaction space
Nature Communications
2020
11
1

Zhang, Wei;Cheng, Guanhua;Haller, Gary L.;Liu, Yue;Lercher, Johannes A.
Rate Enhancement of Acid-Catalyzed Alcohol Dehydration by Supramolecular Organic Capsules
ACS Catalysis
2020
10
22
13371-13376

Yadav, Surendra K.;Grandhi, G. Krishnamurthy;Dubal, Deepak P.;Mello, John C.;Otyepka, Michal;Zbořil, Radek;Fischer, Roland A.;Jayaramulu, Kolleboyina
Metal Halide Perovskite@Metal‐Organic Framework Hybrids: Synthesis, Design, Properties, and Applications
Small
2020
16
47
2004891

Deimel, Martin;Reuter, Karsten;Andersen, Mie
Active Site Representation in First-Principles Microkinetic Models: Data-Enhanced Computational Screening for Improved Methanation Catalysts
ACS Catalysis
2020
10
22
13729-13736

Reiter, Dominik;Holzner, Richard;Porzelt, Amelie;Frisch, Philipp;Inoue, Shigeyoshi
Silylated silicon–carbonyl complexes as mimics of ubiquitous transition-metal carbonyls
Nature Chemistry
2020

Akhade, Sneha A.;Singh, Nirala;Gutiérrez, Oliver Y.;Lopez-Ruiz, Juan;Wang, Huamin;Holladay, Jamie D.;Liu, Yue;Karkamkar, Abhijeet;Weber, Robert S.;Padmaperuma, Asanga B.;Lee, Mal-Soon;Whyatt, Greg A.;Elliott, Michael;Holladay, Johnathan E.;Male, Jonathan L.;Lercher, Johannes A.;Rousseau, Roger;Glezakou, Vassiliki-Alexandra
Electrocatalytic Hydrogenation of Biomass-Derived Organics: A Review
Chemical Reviews
2020
120
20
11370-11419

Sanyal, Udishnu;Yuk, Simuck F.;Koh, Katherine;Lee, Mal‐Soon;Stoerzinger, Kelsey;Zhang, Difan;Meyer, Laura C.;Lopez‐Ruiz, Juan A.;Karkamkar, Abhi;Holladay, Jamie D.;Camaioni, Donald M.;Nguyen, Manh‐Thuong;Glezakou, Vassiliki‐Alexandra;Rousseau, Roger;Gutiérrez, Oliver Y.;Lercher, Johannes A.
Hydrogen Bonding Enhances the Electrochemical Hydrogenation of Benzaldehyde in the Aqueous Phase
Angewandte Chemie International Edition
2020

Tu, Min;Xia, Benzheng;Kravchenko, Dmitry E.;Tietze, Max Lutz;Cruz, Alexander John;Stassen, Ivo;Hauffman, Tom;Teyssandier, Joan;De Feyter, Steven;Wang, Zheng;Fischer, Roland A.;Marmiroli, Benedetta;Amenitsch, Heinz;Torvisco, Ana;Velásquez-Hernández, Miriam de J.;Falcaro, Paolo;Ameloot, Rob
Direct X-ray and electron-beam lithography of halogenated zeolitic imidazolate frameworks
Nature Materials
2020