Publikationen von Hendrik Heenen
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Zeitschriftenartikel (10)
2024
Zeitschriftenartikel
H. Heenen, , und : 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
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).
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Zeitschriftenartikel
S. Wengert, , H. Heenen, K. Reuter, und : wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows. The Journal of Chemical Physics 159 (12), 124801 (2023).
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Zeitschriftenartikel
H. Heenen und : Combining First-Principles Kinetics and Experimental Data to Establish Guidelines for Product Selectivity in Electrochemical CO2 Reduction. ACS Catalysis 13 (7), 5062–5072 (2023).
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Zeitschriftenartikel
H. Heenen und : Solvation of furfural at metal-water interfaces: Implications for aqueous phase hydrogenation reactions. The Journal of Chemical Physics 159 (8), 084702 (2023).
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Zeitschriftenartikel
H. Heenen und : 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).
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Zeitschriftenartikel
Heenen, H., , , , , und : 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
H. Heenen, , und : 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, , 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).