Publications of Hendrik Heenen

All genres

Journal Article (10)

2024

Journal Article

Vijay, Sudarshan, Hendrik Heenen, Aayush R. Singh, Karen Chan and Johannes Voss: Number of sites-based solver for determining coverages from steady-state mean-field micro-kinetic models.

MPG.PuRe

DOI

2023

Journal Article

Dudzinski, Alexandra M., Alexandra Dudzinski, Elias Diesen, Hendrik Heenen, Vanessa Jane Bukas and Karsten Reuter: First Step of the Oxygen Reduction Reaction on Au(111): A Computational Study of O₂ Adsorption at the Electrified Metal/Water Interface.

MPG.PuRe

DOI

publisher-version

Journal Article

Gelžinytė, Elena, Simon Wengert, Tamás K. Stenczel, Hendrik Heenen, Karsten Reuter, Gábor Csányi and Noam Bernstein: wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows.

MPG.PuRe

DOI

publisher-version

Journal Article

Kastlunger, Georg, Hendrik Heenen and Nitish Govindarajan: Combining First-Principles Kinetics and Experimental Data to Establish Guidelines for Product Selectivity in Electrochemical CO₂ Reduction.

MPG.PuRe

DOI

Journal Article

Liu, Sihang, Sudarshan Vijay, Mianle Xu, Ang Cao, Hector Prats, Georg Kastlunger, Hendrik Heenen and Nitish Govindarajan: Solvation of furfural at metal-water interfaces: Implications for aqueous phase hydrogenation reactions.

MPG.PuRe

DOI

2022

Journal Article

Gao, Hao, Valentina Belova, Francesco La Porta, Juan Santiago Cingolani, Mie Andersen, Mehdi Saedi, Oleg V. Konovalov, Maciej Jankowski, Hendrik Heenen, Irene M.N. Groot, Gilles Renaud and Karsten Reuter: Graphene at Liquid Copper Catalysts: Atomic-Scale Agreement of Experimental and First-Principles Adsorption Height.

MPG.PuRe

DOI

publisher-version

Journal Article

Govindarajan, Nitish, Georg Kastlunger, Hendrik Heenen and Karen Chan: Improving the intrinsic activity of electrocatalysts for sustainable energy conversion: where are we and where can we go?

MPG.PuRe

DOI

publisher-version

Journal Article

Heenen, Hendrik, Haeun Shin, Georg Kastlunger, Sean Overa, Joseph A. Gauthier, Feng Jiao and Karen Chan: The mechanism for acetate formation in electrochemical CO₍₂₎ reduction on Cu: selectivity with potential, pH, and nanostructuring.

MPG.PuRe

DOI

publisher-version

Journal Article

Kelly, Sara R., Hendrik Heenen, Nitish Govindarajan, Karen Chan and Jens K. Nørskov: OH Binding Energy as a Universal Descriptor of the Potential of Zero Charge on Transition Metal Surfaces br.

MPG.PuRe

DOI

2021

Journal Article

Staacke, Carsten, Hendrik Heenen, Christoph Scheurer, Gábor Csányi , Karsten Reuter and Johannes Margraf: On the Role of Long-Range Electrostatics in Machine-Learned Interatomic Potentials for Complex Battery Materials.

MPG.PuRe

DOI

publisher-version

Talk (3)

2022

Talk

Heenen, Hendrik: Understanding Liquid Metal Catalysts for Graphene Synthesis Using Machine Learning Interatomic Potentials.

(DPG Meeting of the Condensed Matter Section (SKM), Regensburg, Germany, Sep 2022).

MPG.PuRe

Talk

Heenen, Hendrik: Modelling Microkinetics and Mass Transport at the Electrified Solid/Liquid Interface to Elaborate Electrocatalytic Selectivity.

(Psi-k Conference, Lausanne, Switzerland, Aug 2022).

MPG.PuRe

2021

Talk

Heenen, Hendrik: Mechanistic Implications of Kinetics and Mass Transport in Co₍₂₎R on CU.

(Seminar, Department of Energy Science & Engineering, Daegu Gyeongbuk Institute of Science and Technology, Online Event, Aug 2021).

MPG.PuRe

Working Paper (1)

2024

Working Paper

Belova, Valentina, Hao Gao, Wissal Sghaier, Anastasios Manikas, Mehdi Saedi, Hendrik Heenen, Costas Galiotis, Gilles Renaud, Oleg V. Konovalov, Irene M.N. Groot, Karsten Reuter and Maciej Jankowski: Operando Characterization and Molecular Simulations Reveal the Growth Kinetics of Graphene on Liquid Copper during Chemical Vapor Deposition.

MPG.PuRe

pre-print