The importance of grand-canonical quantum mechanical methods to describe the effect of electrode potential on the stability of intermediates involved in both electrochemical CO2 reduction and hydrogen evolution-Reference-Cited by-同舟云学术

The importance of grand-canonical quantum mechanical methods to describe the effect of electrode potential on the stability of intermediates involved in both electrochemical CO2 reduction and hydrogen evolution

Published:2018 Issue:4 Volume:20 Page:2549-2557
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zhang Haochen¹²³^ORCID,Goddard William A.⁴⁵⁶^ORCID,Lu Qi¹²³,Cheng Mu-Jeng⁷⁸⁹^ORCID

Affiliation:

1. Department of Chemical Engineering, Tsinghua University

2. Beijing 100084

3. China

4. Materials and Process Simulation Center, California Institute of Technology

5. Pasadena

6. USA

7. Department of Chemistry, National Cheng-Kung University

8. Tainan 701

9. Taiwan

Abstract

Grand canonical quantum mechanics was employed to investigate intermediates of CO₂ER under constant potential instead of constant charge.

Funder

Ministry of Science and Technology, Taiwan

National Natural Science Foundation of China

Office of Science

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/C7CP08153G

Reference70 articles.

1. Catalysis of the electrochemical reduction of carbon dioxide

2. Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO2 Fixation

3. A review of catalysts for the electroreduction of carbon dioxide to produce low-carbon fuels

4. Towards the electrochemical conversion of carbon dioxide into methanol

5. Electrons, Photons, Protons and Earth-Abundant Metal Complexes for Molecular Catalysis of CO2 Reduction

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