Vibrational energy relaxation of interfacial OH on a water-covered α-Al2O3(0001) surface: a non-equilibrium ab initio molecular dynamics study-Reference-Cited by-同舟云学术

Vibrational energy relaxation of interfacial OH on a water-covered α-Al2O3(0001) surface: a non-equilibrium ab initio molecular dynamics study

Published:2021 Issue:13 Volume:23 Page:7714-7723
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Melani Giacomo¹²³⁴¹^ORCID,Nagata Yuki⁵⁶⁷^ORCID,Saalfrank Peter¹⁸⁹⁷^ORCID

Affiliation:

1. Institut für Chemie

2. Universität Zürich

3. CH-8057 Zürich

4. Switzerland

5. Max-Planck Institute für Polymerforschung

6. 55128 Mainz

7. Germany

8. Universität Potsdam

9. D-14476 Potsdam-Golm

Abstract

Vibrational dynamics and relaxation of excited non-hydrogen bonded OH-aluminols from non-equilibrium AIMD, towards in silico time-resolved VSF experiments.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP03777J

Reference52 articles.

1. Water at Interfaces

2. Metal Oxide Surfaces and Their Interactions with Aqueous Solutions and Microbial Organisms

3. Oxide surfaces

4. The interaction of water with solid surfaces: fundamental aspects revisited

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