Výsledky vyhledávání - "Hendrik H. Heenen"

Akademický článek

Graphene at Liquid Copper Catalysts: Atomic‐Scale Agreement of Experimental and First‐Principles Adsorption Height

Autor: Hao Gao, Valentina Belova, Francesco La Porta, Juan Santiago Cingolani, Mie Andersen, Mehdi Saedi, Oleg V. Konovalov, Maciej Jankowski, Hendrik H. Heenen, Irene M. N. Groot, Gilles Renaud, Karsten Reuter

Publikováno v: Advanced Science, Vol 9, Iss 36, Pp n/a-n/a (2022)

Abstract Liquid metal catalysts have recently attracted attention for synthesizing high‐quality 2D materials facilitated via the catalysts’ perfectly smooth surface. However, the microscopic catalytic processes occurring at the surface are still

Externí odkaz: https://doaj.org/article/f35ba8827fae4bcd95ef33e8de95fac3

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Combining First-Principles Kinetics and Experimental Data to Establish Guidelines for Product Selectivity in Electrochemical CO2 Reduction

Autor: Georg Kastlunger, Hendrik H. Heenen, Nitish Govindarajan

Publikováno v: ACS Catalysis. 13:5062-5072

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5d1e530bb6219d0489dcf2ced18cd10d
https://doi.org/10.1021/acscatal.3c00228

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First step of the oxygen reduction reaction on Au(111): A computational study of O2 adsorption at the electrified metal/water interface

Autor: Alexandra M. Dudzinski, Elias Diesen, Hendrik H. Heenen, Vanessa Jane Bukas, Karsten Reuter

Local field effects at the electrical double layer change the energies of reaction intermediates in heterogeneous electrocatalysis. The resulting dependence on (absolute) electrode potential can be pivotal to a catalyst's performance in acid or alkal

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::abd1ed285aacaabe01ca93c999975196
https://doi.org/10.26434/chemrxiv-2023-0jq0h

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OH Binding Energy as a Universal Descriptor of the Potential of Zero Charge on Transition Metal Surfaces

Autor: Sara R. Kelly, Hendrik H. Heenen, Nitish Govindarajan, Karen Chan, Jens K. Nørskov

Publikováno v: The Journal of Physical Chemistry C. 126:5521-5528

The potential of zero charge (U_PZC) is an important quantity of metal-water interfaces that are central in many electrochemical applications. In this work, we use ab initio molecular dynamics (AIMD) simulations to study a large number of (111), (100

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::07baaa4d6d1f38376bb0ec344b18ca8b
https://doi.org/10.1021/acs.jpcc.1c10362

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The mechanism for acetate formation in electrochemical CO(2) reduction on Cu: selectivity with potential, pH, and nanostructuring

Autor: Hendrik H. Heenen, Haeun Shin, Georg Kastlunger, Sean Overa, Joseph A. Gauthier, Feng Jiao, Karen Chan

Publikováno v: Heenen, H H, Shin, H, Kastlunger, G, Overa, S, Gauthier, J A, Jiao, F & Chan, K 2022, ' The mechanism for acetate formation in electrochemical CO (2) reduction on Cu : selectivity with potential, pH, and nanostructuring ', Energy and Environmental Science, vol. 15, no. 9, pp. 3978-3990 . https://doi.org/10.1039/d2ee01485h
Energy & Environmental Science

Nanostructured Cu catalysts have increased the selectivities and geometric activities for high value C-C coupled (C2) products (ethylene, ethanol, and acetate) in the electrochemical CO(2) reduction reaction (CO(2)RR). The selectivity among the high-

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3166fe071cbb8e241e5b218f766596a2
https://doi.org/10.1039/d2ee01485h

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Graphene at Liquid Copper Catalysts:Atomic-Scale Agreement of Experimental and First-Principles Adsorption Height

Publikováno v: Gao, H, Belova, V, La Porta, F, Cingolani, J S, Andersen, M, Saedi, M, Konovalov, O V, Jankowski, M, Heenen, H H, Groot, I M N, Renaud, G & Reuter, K 2022, ' Graphene at Liquid Copper Catalysts : Atomic-Scale Agreement of Experimental and First-Principles Adsorption Height ', Advanced Science, vol. 9, no. 36, 2204684 . https://doi.org/10.1002/advs.202204684
Advanced Science
Advanced Science, 2022, 2022, pp.2204684. ⟨10.1002/advs.202204684⟩
Advanced Science, 9(36):2204684. WILEY

Liquid metal catalysts have recently attracted attention for synthesizing high-quality two-dimensional (2D) materials facilitated via the catalysts’ perfectly smooth surface. However, the microscopic catalytic processes occurring at the surface are

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b6a61207619fa952a966a46046fab757
https://pure.au.dk/portal/da/publications/graphene-at-liquid-copper-catalysts(fc458cc0-75a6-49a3-bed7-caa76d38aadf).html

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Mechanism for acetate formation in electrochemical CO(2) reduction on Cu: Selectivity with potential, pH and nanostructuring

Autor: Hendrik H. Heenen, Haeun Shin, Georg Kastlunger, Sean Overa, Joseph A. Gauthier, Feng Jiao, Karen Chan

Nanostructured Cu catalysts have increased the selectivities and geometric activities for high value C-C coupled (C2) products (ethylene, acetate, and ethanol) in the electrochemical CO(2) reduction reaction (CO(2)RR). The selectivity among the high-

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::418c15694277d9306582ae06986d3d65
https://doi.org/10.26434/chemrxiv-2021-p3d4s-v2

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Fingerprint Voltammograms of Copper Single Crystals under Alkaline Conditions: A Fundamental Mechanistic Analysis

Autor: Sebastian Horch, Hendrik H. Heenen, Aarti Tiwari, Anton Simon Bjørnlund, Karen Chan, Henrik H. Kristoffersen, Ib Chorkendorff, EunAe Cho, Thomas Maagaard

Publikováno v: Tiwari, A, Heenen, H H, Bjørnlund, A S, Maagaard, T, Cho, E, Chorkendorff, I, Kristoffersen, H H, Chan, K & Horch, S 2020, ' Fingerprint Voltammograms of Copper Single Crystals under Alkaline Conditions: A Fundamental Mechanistic Analysis ', Journal of Physical Chemistry Letters, vol. 11, pp. 1450-1455 . https://doi.org/10.1021/acs.jpclett.9b03728
The Journal of Physical Chemistry Letters

A critical step toward the systematic development of electrocatalysts is the determination of the microscopic structure and processes at the electrified solid/electrolyte interface. The major challenges toward this end for experiment and computations

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7cacb0f5a253ca428dca7486c98b7606
https://doi.org/10.1021/acs.jpclett.9b03728

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Improving the intrinsic activity of electrocatalysts for sustainable energy conversion: where are we and where can we go?

Autor: Nitish Govindarajan, Hendrik H. Heenen, Karen Chan, Georg Kastlunger

Publikováno v: Chemical Science
Govindarajan, N, Kastlunger, G, Heenen, H H & Chan, K 2022, ' Improving the intrinsic activity of electrocatalysts for sustainable energy conversion : where are we and where can we go? ', Chemical Science, vol. 13, pp. 14-26 . https://doi.org/10.1039/D1SC04775B

As we are in the midst of a climate crisis, there is an urgent need to transition to the sustainable production of fuels and chemicals. A promising strategy towards this transition is to use renewable energy for the electrochemical conversion of abun

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::23ce2088dd5ea3e0aebf29d645af6116
https://hdl.handle.net/21.11116/0000-0009-904F-C21.11116/0000-0009-B63B-8

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