Unravelling the adsorption and electroreduction performance of CO2 and N2 over defective and B, P, Si-doped C3Ns: a DFT study-Reference-Cited by-同舟云学术

Unravelling the adsorption and electroreduction performance of CO₂ and N₂ over defective and B, P, Si-doped C₃Ns: a DFT study

Published:2023 Issue:25 Volume:25 Page:16952-16961
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wang Dandan¹^ORCID,Liu Xueting¹,Yang Huiru¹,Zhao Ziang¹,Liu Yucheng¹,Qu Xin¹,Yang Lihua¹,Feng Ming¹^ORCID,Sun Zaicheng²^ORCID

Affiliation:

1. Key Laboratory of Functional Materials Physics and Chemistry of Ministry of Education, College of Physics, Jilin Normal University, Changchun 130103, China

2. Center of Excellence for Environmental Safety and Biological Effects, Beijing Key Lab for Green Catalysis and Separation, Department of Chemistry, Faculty of Environment and Life, Beijing University of Technology, 100 Pingleyuan, Beijing 100124, China

Abstract

PN–VC–C3N, and BN–C3N and PN–C3N are screened as the best and good electrocatalyst for CO2RR towards HCOOH with UL = −0.17 V, −0.38 V and −0.46 V, respectively. Moreover, SiC–C3N is an alternative electrocatalyst for the CO2RR to CH3OH.

Funder

National Natural Science Foundation of China

Jilin Scientific and Technological Development Program

Education Department of Jilin Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP02106H

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