Publikationen von Hendrik Heenen

Pillai, H.S., H. Heenen, K. Reuter und V.J. Bukas: Bridging the scales within transport-coupled kinetic models for heterogeneous electrocatalysis. Current Opinion in Electrochemistry 49, 101631 (2025).

Heenen, H., H.S. Pillai, K. Reuter und V.J. Bukas: Exploring mesoscopic mass transport effects on electrocatalytic selectivity. Nature Catalysis, im Druck.

Rein, V., H. Gao, H. Heenen, W. Sghaier, A.C. Manikas, C. Tsakonas, M. Saedi, J. Margraf, C. Galiotis, G. Renaud, O.V. Konovalov, I.M.N. Groot, K. Reuter und M. Jankowski: Operando Characterization and Molecular Simulations Reveal the Growth Kinetics of Graphene on Liquid Copper During Chemical Vapor Deposition. ACS Nano 18 (19), 12503–12511 (2024).

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).

Dudzinski, A., 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).

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).

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).

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).

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).

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).

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).

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).

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).

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Heenen, H.:

Heenen, H.:

Heenen, H.:

Müller, N.S., A.P. Fellows, B. John, A.E. Naclerio, C. Carbogno, K. Gharagozloo-Hubmann, D. Balaz, R.A. Kowalski, H. Heenen, C. Scheurer, K. Reuter, J.D. Caldwell, M. Wolf, P.R. Kidambi, M. Thämer und A. Paarmann: Full Crystallographic Imaging of Hexagonal Boron Nitride Monolayers with Phonon-Enhanced Sum-Frequency Microscopy., im Druck.