Theoretical insight into the vibrational spectra of metal–water interfaces from density functional theory based molecular dynamics-Reference-Cited by-同舟云学术

Theoretical insight into the vibrational spectra of metal–water interfaces from density functional theory based molecular dynamics

Published:2018 Issue:17 Volume:20 Page:11554-11558
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Le Jiabo¹²³⁴⁵,Fan Qiyuan¹²³⁴⁵,Perez-Martinez Laura⁶⁷⁸⁹¹⁰,Cuesta Angel¹⁰¹¹¹²¹³,Cheng Jun¹²³⁴⁵^ORCID

Affiliation:

1. State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM

2. College of Chemistry and Chemical Engineering

3. Xiamen University

4. Xiamen 361005

5. China

6. Department of Physical Chemistry

7. University of Zaragoza

8. Zaragoza 50009

9. Spain

10. Department of Chemistry

11. University of Aberdeen

12. Aberdeen AB24 3UE

13. UK

Abstract

Density functional theory based molecular dynamics simulations reveal that the specific adsorption of surface water causes a red-shift of the O–H stretching frequency at the Pt–water interface.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP00615F

Reference31 articles.

1. Voltage-dependent ordering of water molecules at an electrode–electrolyte interface

2. The structure of interfacial water on gold electrodes studied by x-ray absorption spectroscopy

3. Vibrational spectra of water molecules at quartz/water interfaces

4. Structure of Water at the Electrified Platinum−Water Interface: A Study by Surface-Enhanced Infrared Absorption Spectroscopy

5. Potential-Dependent Reorientation of Water Molecules at an Electrode/Electrolyte Interface Studied by Surface-Enhanced Infrared Absorption Spectroscopy

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