Cooperative Interplay of van der Waals Forces and Quantum Nuclear Effects on Adsorption: H at Graphene and at Coronene-Reference-Cited by-同舟云学术

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Cooperative Interplay of van der Waals Forces and Quantum Nuclear Effects on Adsorption: H at Graphene and at Coronene

Published:2014-10-17 Issue:10 Volume:8 Page:9905-9913
ISSN:1936-0851
Container-title:ACS Nano
language:en
Short-container-title:ACS Nano

Author:

Davidson Erlend R. M.¹²³,Klimeš Jiří¹²³,Alfè Dario¹³⁴⁵,Michaelides Angelos¹²³

Affiliation:

1. London Centre for Nanotechnology, University College London, London WC1E 6BT, U.K.

2. Department of Chemistry, University College London, London WC1E 6BT, U.K.

3. Thomas Young Centre, University College London, London WC1E 6BT, U.K.

4. Department of Earth Sciences, University College London, Gower Street, London, WC1E 6BT, U.K.

5. Department of Physics and Astronomy, University College London, London WC1E 6BT, U.K.

Funder

Engineering and Physical Sciences Research Council

Royal Society

European Research Council

Publisher

American Chemical Society (ACS)

Subject

General Physics and Astronomy,General Engineering,General Materials Science

Link

https://pubs.acs.org/doi/pdf/10.1021/nn505578x

Reference68 articles.

1. Towards the computational design of solid catalysts

2. Insights into Current Limitations of Density Functional Theory

3. Perspective on density functional theory

4. Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory

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1. Hydrogen Diffusion on Graphene Surface: The Effects of Neighboring Adsorbate and Quantum Tunneling;The Journal of Physical Chemistry C;2024-01-04

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3. On the Catalytic Performance of (ZrO)_n (n=1–4) Clusters for CO Oxidation: A DFT Study;ChemPhysChem;2023-01-16

4. Quantum Tunnelling Driven H₂ Formation on Graphene;The Journal of Physical Chemistry Letters;2022-04-01

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