Hendrik H. Heenen
Hendrik H. Heenen
Fritz Haber Institute of the Max Planck Society
Verified email at - Homepage
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Catalytic polysulfide conversion and physiochemical confinement for lithium–sulfur batteries
Z Sun, S Vijay, HH Heenen, AYS Eng, W Tu, Y Zhao, SW Koh, P Gao, ...
Advanced Energy Materials 10 (22), 1904010, 2020
Solvation at metal/water interfaces: An ab initio molecular dynamics benchmark of common computational approaches
HH Heenen, JA Gauthier, HH Kristoffersen, T Ludwig, K Chan
The Journal of Chemical Physics 152 (14), 2020
Unified approach to implicit and explicit solvent simulations of electrochemical reaction energetics
JA Gauthier, CF Dickens, HH Heenen, S Vijay, S Ringe, K Chan
Journal of chemical theory and computation 15 (12), 6895-6906, 2019
Dipole-Field Interactions Determine the CO2 Reduction Activity of 2D Fe–N–C Single-Atom Catalysts
S Vijay, JA Gauthier, HH Heenen, VJ Bukas, HH Kristoffersen, K Chan
ACS Catalysis 10 (14), 7826-7835, 2020
Using pH dependence to understand mechanisms in electrochemical CO reduction
G Kastlunger, L Wang, N Govindarajan, HH Heenen, S Ringe, T Jaramillo, ...
ACS Catalysis 12 (8), 4344-4357, 2022
The mechanism for acetate formation in electrochemical CO (2) reduction on Cu: selectivity with potential, pH, and nanostructuring
HH Heenen, H Shin, G Kastlunger, S Overa, JA Gauthier, F Jiao, K Chan
Energy & Environmental Science 15 (9), 3978-3990, 2022
Improving the intrinsic activity of electrocatalysts for sustainable energy conversion: where are we and where can we go?
N Govindarajan, G Kastlunger, HH Heenen, K Chan
Chemical Science 13 (1), 14-26, 2022
Multi-ion Conduction in Li3OCl Glass Electrolytes
HH Heenen, J Voss, C Scheurer, K Reuter, AC Luntz
The Journal of Physical Chemistry Letters 10 (9), 2264-2269, 2019
Fingerprint voltammograms of copper single crystals under alkaline conditions: a fundamental mechanistic analysis
A Tiwari, HH Heenen, AS Bjřrnlund, T Maagaard, EA Cho, I Chorkendorff, ...
The Journal of Physical Chemistry Letters 11 (4), 1450-1455, 2020
Implications of Occupational Disorder on Ion Mobility in Li4Ti5O12 Battery Materials
HH Heenen, C Scheurer, K Reuter
Nano letters 17 (6), 3884-3888, 2017
On the role of long-range electrostatics in machine-learned interatomic potentials for complex battery materials
CG Staacke, HH Heenen, C Scheurer, G Csányi, K Reuter, JT Margraf
ACS Applied Energy Materials 4 (11), 12562-12569, 2021
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
Combining First-Principles Kinetics and Experimental Data to Establish Guidelines for Product Selectivity in Electrochemical CO2 Reduction
G Kastlunger, HH Heenen, N Govindarajan
ACS Catalysis 13 (7), 5062-5072, 2023
OH binding energy as a universal descriptor of the potential of zero charge on transition metal surfaces
SR Kelly, HH Heenen, N Govindarajan, K Chan, JK Nřrskov
The Journal of Physical Chemistry C 126 (12), 5521-5528, 2022
Graphene at liquid copper catalysts: atomic‐scale agreement of experimental and first‐principles adsorption height
H Gao, V Belova, F La Porta, JS Cingolani, M Andersen, M Saedi, ...
Advanced Science 9 (36), 2204684, 2022
Electrochemical oxidation of CO on Cu single crystals under alkaline conditions
A Tiwari, HH Heenen, AS Bjřrnlund, D Hochfilzer, K Chan, S Horch
ACS Energy Letters 5 (11), 3437-3442, 2020
The influence of conjugated alkynyl (aryl) surface groups on the optical properties of silicon nanocrystals: photoluminescence through in-gap states
A Angı, R Sinelnikov, HH Heenen, A Meldrum, JGC Veinot, C Scheurer, ...
Nanotechnology 29 (35), 355705, 2018
wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows
E Gelžinytė, S Wengert, TK Stenczel, HH Heenen, K Reuter, G Csányi, ...
The Journal of Chemical Physics 159 (12), 2023
Surface Chemistry of 1-and 3-Hexyne on Pt (111): Desorption, Decomposition, and Dehydrocyclization
MD Rötzer, M Krause, AS Crampton, E Mitterreiter, HH Heenen, ...
The Journal of Physical Chemistry C 122 (8), 4428-4436, 2018
First Step of the Oxygen Reduction Reaction on Au(111): A Computational Study of O2 Adsorption at the Electrified Metal/Water Interface
AM Dudzinski, E Diesen, HH Heenen, VJ Bukas, K Reuter
ACS Catalysis 13 (18), 12074-12081, 2023
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