Molecular dynamics study of plasmon-mediated chemical transformations

Author:

Wu Xiaoyan1,van der Heide Tammo2ORCID,Wen Shizheng3,Frauenheim Thomas124,Tretiak Sergei56ORCID,Yam ChiYung7,Zhang Yu5ORCID

Affiliation:

1. Shenzhen JL Computational Science and Applied Research Institute, Longhua District, Shenzhen, 518110, China

2. Bremen Center for Computational Materials Science, University of Bremen, Bremen, 28359, Germany

3. Jiangsu Province Key Laboratory of Modern Measurement Technology and Intelligent Systems, School of Physics and Electronic Electrical Engineering, Huaiyin Normal University, Huaian, 223300, China

4. Beijing Computational Science Research Center, Haidian District, Beijing, 100193, China

5. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico, 87545, USA

6. Center of Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico, 87545, USA

7. Shenzhen Institute for Advanced Study, University of Electronic Science and Technology of China, Shenzhen, 518000, China

Abstract

Heterogeneous catalysis of adsorbates on metallic surfaces mediated by plasmons has potential high photoelectric conversion efficiency and controllable reaction selectivity.

Funder

National Natural Science Foundation of China

Shenzhen Fundamental Research Program

Laboratory Directed Research and Development

Los Alamos National Laboratory

Center for Integrated Nanotechnologies

U.S. Department of Energy

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

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