Quantum Nuclei at Weakly Bonded Interfaces: The Case of Cyclohexane on Rh(111)-Reference-Cited by-同舟云学术

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Quantum Nuclei at Weakly Bonded Interfaces: The Case of Cyclohexane on Rh(111)

Published:2021-01-14 Issue:4 Volume:4 Page:2000241
ISSN:2513-0390
Container-title:Advanced Theory and Simulations
language:en
Short-container-title:Advcd Theory and Sims

Author:

Fidanyan Karen¹²^ORCID,Hamada Ikutaro³^ORCID,Rossi Mariana¹²^ORCID

Affiliation:

1. Fritz Haber Institute of the Max Planck Society Faradayweg 4‐6 Berlin 14195 Germany

2. Max Planck Institute for the Structure and Dynamics of Matter Luruper Chaussee 149 Hamburg 22761 Germany

3. Department of Precision Engineering Graduate School of Engineering Osaka University 2‐1 Yamadaoka Suita Osaka 565‐0871 Japan

Funder

Japan Society for the Promotion of Science

Max-Planck-Gesellschaft

Publisher

Wiley

Subject

Multidisciplinary,Modeling and Simulation,Numerical Analysis,Statistics and Probability

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/adts.202000241

Reference53 articles.

1. Electron-phonon interactions from first principles

2. Kinetic and geometric isotope effects originating from different adsorption potential energy surfaces: Cyclohexane on Rh(111)

3. The Quantum Nature of C-H···Metal Interaction: Vibrational Spectra and Kinetic and Geometric Isotope Effects of Adsorbed Cyclohexane

4. Theoretical study ofn-alkane adsorption on metal surfaces

5. Simple and Efficient System for Combined Solar Energy Harvesting and Reversible Hydrogen Storage

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1. Van der Waals density functional study of n -alkane adsorbed on metal surfaces;Physical Review B;2024-08-07

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3. Nuclear quantum dynamics in Hexamethylenetetramine and its deuterated counterpart: a DFT-augmented neutron study;Physica Scripta;2023-01-24

4. Nuclear quantum effects at aqueous metal interfaces captured by molecular dynamics simulations;Current Opinion in Electrochemistry;2022-06

5. Isotope effect of methane adsorbed on fcc metal (1 1 1) surfaces;Chemical Physics Letters;2021-10

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