Mechanism of electrocatalytic CO 2 reduction reaction by borophene supported bimetallic catalysts.

Autor: Liu M; School of Materials Science and Engineering, Faculty of Materials Metallurgy and Chemistry, Jiangxi University of Science and Technology, Ganzhou 341000, People's Republic of China., Balamurugan J; Department of Materials Science and Engineering, Korea Advanced Institute of Science and Technology, Daejeon 34141, Republic of Korea., Liang T; School of Materials Science and Engineering, Faculty of Materials Metallurgy and Chemistry, Jiangxi University of Science and Technology, Ganzhou 341000, People's Republic of China. Electronic address: liang_tx@126.com., Liu C; School of Materials Science and Engineering, Faculty of Materials Metallurgy and Chemistry, Jiangxi University of Science and Technology, Ganzhou 341000, People's Republic of China. Electronic address: liuchao198967@126.com.
Jazyk: angličtina
Zdroj: Journal of colloid and interface science [J Colloid Interface Sci] 2024 Apr; Vol. 659, pp. 959-973. Date of Electronic Publication: 2024 Jan 12.
DOI: 10.1016/j.jcis.2024.01.051
Abstrakt: Bimetal atom catalysts (BACs) hold significant potential for various applications as a result of the synergistic interaction between adjacent metal atoms. This interaction leads to improved catalytic performance, while simultaneously maintaining high atomic efficiency and exceptional selectivity, similar to single atom catalysts (SACs). Bimetallic site catalysts (M 2 β 12 ) supported by β 12 -borophene were developed as catalysts for electrocatalytic carbon dioxide reduction reaction (CO 2 RR). The research on density functional theory (DFT) demonstrates that M 2 β 12 exhibits exceptional stability, conductivity, and catalytic activity. Investigating the most efficient reaction pathway for CO 2 RR by analyzing the Gibbs free energy (ΔG) during potential determining steps (PDS) and choosing a catalyst with outstanding catalytic performance for CO 2 RR. The overpotential required for Fe 2 β 12 and Ag 2 β 12 to generate CO is merely 0.05 V. This implies that the conversion of CO 2 to CO can be accomplished with minimal additional voltage. The overpotential values for Cu 2 β 12 and Ag 2 β 12 during the formation of HCOOH were merely 0.001 and 0.07 V, respectively. Furthermore, the Rh 2 β 12 catalyst exhibits a relatively low overpotential of 0.51 V for CH 3 OH and 0.65 V for CH 4 . The Fe 2 β 12 produces C 2 H 4 through the *CO-*CO pathway, while Ag 2 β 12 generates CH 3 CH 2 OH via the *CO-*CHO coupling pathway, with remarkably low overpotentials of 0.84 and 0.60 V, respectively. The study provides valuable insights for the systematic design and screening of electrocatalysts for CO 2 RR that exhibit exceptional catalytic performance and selectivity.
Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
(Copyright © 2024 Elsevier Inc. All rights reserved.)
Databáze: MEDLINE
Externí odkaz: