Ruthenium single-atom catalysis for electrocatalytic nitrogen reduction unveiled by grand canonical density functional theory-Reference-Cited by-同舟云学术

Ruthenium single-atom catalysis for electrocatalytic nitrogen reduction unveiled by grand canonical density functional theory

Published:2020 Issue:39 Volume:8 Page:20402-20407
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Ji Yujin¹²³⁴⁵^ORCID,Li Yifan⁶⁷⁸⁵^ORCID,Dong Huilong⁹¹⁰¹¹⁵^ORCID,Ding Lifeng¹²¹³⁵^ORCID,Li Youyong¹²³⁴⁵^ORCID

Affiliation:

1. Institute of Functional Nano & Soft Materials (FUNSOM)

2. Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices

3. Soochow University

4. Suzhou

5. China

6. School of Environmental and Municipal Engineering

7. Qingdao University of Technology

8. Qingdao 266033

9. School of Materials Engineering

10. Changshu Institute of Technology

11. Changshu

12. Department of Chemistry

13. Xi'an JiaoTong-Liverpool University

Abstract

Grand canonical density functional theory calculations reveal that the Ru–N4 motif is the superior catalytic site for eNRR rather than the Ru–N3 motif.

Funder

National Natural Science Foundation of China

Collaborative Innovation Center of Suzhou Nano Science and Technology

Priority Academic Program Development of Jiangsu Higher Education Institutions

Higher Education Discipline Innovation Project

National Basic Research Program of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/TA/D0TA06672A

Reference38 articles.

1. Combining theory and experiment in electrocatalysis: Insights into materials design

2. How a century of ammonia synthesis changed the world

3. Beyond fossil fuel–driven nitrogen transformations

4. Electrochemical Reduction of N2under Ambient Conditions for Artificial N2Fixation and Renewable Energy Storage Using N2/NH3Cycle

5. Electrochemical synthesis of ammonia at atmospheric pressure and low temperature in a solid polymer electrolyte cell

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