Significance of density functional theory (DFT) calculations for electrocatalysis of N<sub>2</sub> and CO<sub>2</sub> reduction reactions-Reference-Cited by-同舟云学术

Significance of density functional theory (DFT) calculations for electrocatalysis of N₂ and CO₂ reduction reactions

Published:2022 Issue:15 Volume:24 Page:8591-8603
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Yang Yingke¹²,Wang Jiawen²,Shu Yunpeng¹,Ji Yujin²^ORCID,Dong Huilong¹^ORCID,Li Youyong²³^ORCID

Affiliation:

1. School of Materials Engineering, Changshu Institute of Technology, Changshu, Jiangsu 215500, China

2. Institute of Functional Nano & Soft Materials (FUNSOM), Soochow University, Suzhou, Jiangsu 215123, China

3. Macao Institute of Materials Science and Engineering, Macau University of Science and Technology, Taipa, Macau SAR 999078, China

Abstract

Density functional theory calculations have shown great significance in improving the catalytic performance and design of CO2RR and NRR electrocatalysts in recent years.

Funder

Natural Science Foundation of Jiangsu Province

Changshu Institute of Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP05442B

Reference95 articles.

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5. Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles

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