Publikationen von Hendrik Heenen

Zeitschriftenartikel (10)

2024
Zeitschriftenartikel
Vijay, S., H. Heenen, A.R. Singh, K. Chan und J. Voss: Number of sites-based solver for determining coverages from steady-state mean-field micro-kinetic models. Journal of Computational Chemistry 45 (9), 546–551 (2024).
2023
Zeitschriftenartikel
Dudzinski, A.M., A. Dudzinski, E. Diesen, H. Heenen, V.J. Bukas und K. Reuter: First Step of the Oxygen Reduction Reaction on Au(111): A Computational Study of O2 Adsorption at the Electrified Metal/Water Interface. ACS Catalysis 13 (18), 12074–12081 (2023).
Zeitschriftenartikel
Gelžinytė, E., S. Wengert, T.K. Stenczel, H. Heenen, K. Reuter, G. Csányi und N. Bernstein: wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows. The Journal of Chemical Physics 159 (12), 124801 (2023).
Zeitschriftenartikel
Kastlunger, G., H. Heenen und N. Govindarajan: Combining First-Principles Kinetics and Experimental Data to Establish Guidelines for Product Selectivity in Electrochemical CO2 Reduction. ACS Catalysis 13 (7), 5062–5072 (2023).
Zeitschriftenartikel
Liu, S., S. Vijay, M. Xu, A. Cao, H. Prats, G. Kastlunger, H. Heenen und N. Govindarajan: Solvation of furfural at metal-water interfaces: Implications for aqueous phase hydrogenation reactions. The Journal of Chemical Physics 159 (8), 084702 (2023).
2022
Zeitschriftenartikel
Gao, H., V. Belova, F. La Porta, J.S. Cingolani, M. Andersen, M. Saedi, O.V. Konovalov, M. Jankowski, H. Heenen, I.M.N. Groot, G. Renaud und K. Reuter: Graphene at Liquid Copper Catalysts: Atomic-Scale Agreement of Experimental and First-Principles Adsorption Height. Advanced Science 9 (36), 2204684 (2022).
Zeitschriftenartikel
Govindarajan, N., G. Kastlunger, H. Heenen und K. Chan: Improving the intrinsic activity of electrocatalysts for sustainable energy conversion: where are we and where can we go? Chemical Science 13 (1), 14–26 (2022).
Zeitschriftenartikel
Heenen, H., H. Shin, G. Kastlunger, S. Overa, J.A. Gauthier, F. Jiao und K. Chan: The mechanism for acetate formation in electrochemical CO(2) reduction on Cu: selectivity with potential, pH, and nanostructuring. Energy & Environmental Science 15 (9), 3978–3990 (2022).
Zeitschriftenartikel
Kelly, S.R., H. Heenen, N. Govindarajan, K. Chan und J.K. Nørskov: OH Binding Energy as a Universal Descriptor of the Potential of Zero Charge on Transition Metal Surfaces br. The Journal of Physical Chemistry C 126 (12), 5521–5528 (2022).
2021
Zeitschriftenartikel
Staacke, C., H. Heenen, C. Scheurer, G. Csányi , K. Reuter und J. Margraf: On the Role of Long-Range Electrostatics in Machine-Learned Interatomic Potentials for Complex Battery Materials. ACS Applied Energy Materials 4 (11), 12562–12569 (2021).

Vortrag (3)

2022
Vortrag
Vortrag
2021
Vortrag

Forschungspapier (1)

2023
Forschungspapier
Belova, V., H. Gao, W. Sghaier, A. Manikas, M. Saedi, H. Heenen, C. Galiotis, G. Renaud, O.V. Konovalov, I.M.N. Groot, K. Reuter und M. Jankowski: Kinetics of Graphene Growth on Liquid Copper by Chemical Vapor Deposition., im Druck.
Zur Redakteursansicht