| Water‐soluble polymeric carbon nitride colloidal nanoparticles for highly selective quasi‐homogeneous photocatalysis I Krivtsov, D Mitoraj, C Adler, M Ilkaeva, M Sardo, L Mafra, C Neumann, ... Angewandte Chemie International Edition 59 (1), 487-495, 2020 | 131 | 2020 |
| Simulations of the oxidation and degradation of platinum electrocatalysts B Kirchhoff, L Braunwarth, C Jung, H Jónsson, D Fantauzzi, T Jacob Small 16 (5), 1905159, 2020 | 36 | 2020 |
| Molybdenum‐doping augments platinum‐copper oxygen reduction electrocatalyst Y Luo, B Kirchhoff, D Fantauzzi, L Calvillo, LA Estudillo-Wong, G Granozzi, ... ChemSusChem 11 (1), 193-201, 2018 | 31 | 2018 |
| Detecting and Preventing the Formation of Photosensitizer‐Catalyst Colloids in Homogeneous Light‐Driven Water Oxidation B Kirchhoff, S Rau, C Streb European Journal of Inorganic Chemistry 2016 (9), 1425-1429, 2016 | 20 | 2016 |
| Structure and optical properties of polymeric carbon nitrides from atomistic simulations C Im, B Kirchhoff, I Krivtsov, D Mitoraj, R Beranek, T Jacob Chemistry of Materials 35 (4), 1547-1559, 2023 | 14 | 2023 |
| Assessment of the Accuracy of Density Functionals for Calculating Oxygen Reduction Reaction on Nitrogen-Doped Graphene B Kirchhoff, A Ivanov, E Skúlason, T Jacob, D Fantauzzi, H Jónsson Journal of Chemical Theory and Computation 17 (10), 6405-6415, 2021 | 11 | 2021 |
| An atomistic view of platinum cluster growth on pristine and defective graphene supports J Bord, B Kirchhoff, M Baldofski, C Jung, T Jacob Small 19 (10), 2207484, 2023 | 9 | 2023 |
| Simulations of the Electrochemical Oxidation of Pt Nanoparticles of Various Shapes B Kirchhoff, C Jung, H Jónsson, D Fantauzzi, T Jacob The Journal of Physical Chemistry C 126 (15), 6773-6781, 2022 | 5 | 2022 |
| Elastic Collision Based Dynamic Partitioning Scheme for Hybrid Simulations B Kirchhoff, EÖ Jónsson, AO Dohn, T Jacob, H Jónsson J. Chem. Theory Comput. 17 (9), 5863–5875, 2021 | 5 | 2021 |
| On the challenge of obtaining an accurate solvation energy estimate in simulations of electrocatalysis B Kirchhoff, EÖ Jónsson, T Jacob, H Jónsson Topics in Catalysis 66 (15), 1244-1259, 2023 | 2 | 2023 |
| Unraveling the Optical Signatures of Polymeric Carbon Nitrides: Insights into Stacking-Induced Excitonic Transitions C Im, B Kirchhoff, D Mitoraj, I Krivtsov, A Farkas, R Beránek, T Jacob arXiv preprint arXiv:2403.13685, 2024 | 1 | 2024 |
| Theoretical investigations on surface stabilities of CuBi2O4 and CuFeO2 J Beßner, SE Bogenrieder, R Neuhoff, B Kirchhoff, T Jacob | 1 | 2024 |
| In silico characterization of nanoparticles B Kirchhoff, C Jung, D Gaissmaier, L Braunwarth, D Fantauzzi, T Jacob Physical Chemistry Chemical Physics 25 (19), 13228-13243, 2023 | 1 | 2023 |
| Computational studies of oxygen reduction catalysts B Kirchhoff University of Iceland, School of Engineering and Natural Sciences, Faculty …, 2021 | 1 | 2021 |
| Theoretical Investigations on the Surface Stability of CuBi2O4 and CuFeO2 J Beßner, SE Bogenrieder, R Neuhoff, B Kirchhoff, T Jacob The Journal of Physical Chemistry C, 2024 | | 2024 |
