A heterogeneous single-atom palladium catalyst surpassing homogeneous systems for Suzuki coupling Z Chen, E Vorobyeva, S Mitchell, E Fako, MA Ortuño, N López, SM Collins, ... Nature nanotechnology 13 (8), 702-707, 2018 | 567 | 2018 |
Nanostructuring unlocks high performance of platinum single-atom catalysts for stable vinyl chloride production SK Kaiser, E Fako, G Manzocchi, F Krumeich, R Hauert, AH Clark, ... Nature catalysis 3 (4), 376-385, 2020 | 158 | 2020 |
Single-atom heterogeneous catalysts based on distinct carbon nitride scaffolds Z Chen, E Vorobyeva, S Mitchell, E Fako, N López, SM Collins, RK Leary, ... National Science Review 5 (5), 642-652, 2018 | 153 | 2018 |
A foundation model for atomistic materials chemistry I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 2023 | 151 | 2023 |
Atom‐by‐atom resolution of structure–function relations over low‐nuclearity metal catalysts E Vorobyeva, E Fako, Z Chen, SM Collins, D Johnstone, PA Midgley, ... Angewandte Chemie 131 (26), 8816-8821, 2019 | 142 | 2019 |
Design of Single Gold Atoms on Nitrogen‐Doped Carbon for Molecular Recognition in Alkyne Semi‐Hydrogenation R Lin, D Albani, E Fako, SK Kaiser, OV Safonova, N López, ... Angewandte Chemie International Edition 58 (2), 504-509, 2019 | 126 | 2019 |
Tailoring the framework composition of carbon nitride to improve the catalytic efficiency of the stabilised palladium atoms E Vorobyeva, Z Chen, S Mitchell, RK Leary, P Midgley, JM Thomas, ... Journal of Materials Chemistry A 5 (31), 16393-16403, 2017 | 104 | 2017 |
Controlling the speciation and reactivity of carbon-supported gold nanostructures for catalysed acetylene hydrochlorination SK Kaiser, R Lin, S Mitchell, E Fako, F Krumeich, R Hauert, OV Safonova, ... Chemical science 10 (2), 359-369, 2019 | 89 | 2019 |
Hydrogen evolution reaction-from single crystal to single atom catalysts SJ Gutić, AS Dobrota, E Fako, NV Skorodumova, N López, IA Pašti Catalysts 10 (3), 290, 2020 | 67 | 2020 |
Performance descriptors of nanostructured metal catalysts for acetylene hydrochlorination SK Kaiser, E Fako, I Surin, F Krumeich, VA Kondratenko, EV Kondratenko, ... Nature Nanotechnology 17 (6), 606-612, 2022 | 61 | 2022 |
Carrier‐Induced Modification of Palladium Nanoparticles on Porous Boron Nitride for Alkyne Semi‐Hydrogenation S Büchele, Z Chen, E Fako, F Krumeich, R Hauert, OV Safonova, N López, ... Angewandte Chemie 132 (44), 19807-19812, 2020 | 59 | 2020 |
Comparative single atom heterogeneous catalysts (SAHCs) on different platforms: a theoretical approach E Fako, Z Łodziana, N López Catalysis Science & Technology 7 (19), 4285-4293, 2017 | 48 | 2017 |
Activation of copper species on carbon nitride for enhanced activity in the arylation of amines E Vorobyeva, VC Gerken, S Mitchell, A Sabadell-Rendon, R Hauert, S Xi, ... ACS Catalysis 10 (19), 11069-11080, 2020 | 40 | 2020 |
Atomically thin metal films on foreign substrates: from lattice mismatch to electrocatalytic activity IA Pasti, E Fako, AS Dobrota, N Lopez, NV Skorodumova, SV Mentus ACS Catalysis 9 (4), 3467-3481, 2019 | 31 | 2019 |
Accurate energy barriers for catalytic reaction pathways: an automatic training protocol for machine learning force fields LL Schaaf, E Fako, S De, A Schäfer, G Csányi npj Computational Materials 9 (1), 180, 2023 | 26 | 2023 |
Lattice mismatch as the descriptor of segregation, stability and reactivity of supported thin catalyst films E Fako, AS Dobrota, IA Pašti, N López, SV Mentus, NV Skorodumova Physical Chemistry Chemical Physics 20 (3), 1524-1530, 2018 | 22 | 2018 |
Anchoring of single-platinum-adatoms on cyanographene: Experiment and theory R Langer, E Fako, P Błoński, M Vavrečka, A Bakandritsos, M Otyepka, ... Applied Materials Today 18, 100462, 2020 | 18 | 2020 |
A foundation model for atomistic materials chemistry, 2024 I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 0 | 18 | |
Ló pez Z Chen, E Vorobyeva, S Mitchell, E Fako, MA Ortuno N., Collins, SM, Midgley, PA, Richard, S., Vilé, G., and Pé rez-Ramırez, J …, 2018 | 16 | 2018 |
Precursor Nuclearity and Ligand Effects in Atomically‐Dispersed Heterogeneous Iron Catalysts for Alkyne Semi‐Hydrogenation D Faust Akl, A Ruiz‐Ferrando, E Fako, R Hauert, O Safonova, S Mitchell, ... ChemCatChem 13 (14), 3247-3256, 2021 | 14 | 2021 |