Issue 47, 2019

Efficient electrocatalytic reduction of carbon dioxide by metal-doped β12-borophene monolayers

Abstract

Electrochemical reduction of CO2 to value-added chemicals and fuels shows great promise in contributing to reducing the energy crisis and environment problems. This progress has been slowed by a lack of stable, efficient and selective catalysts. In this paper, density functional theory (DFT) was used to study the catalytic performance of the first transition metal series anchored TM–Bβ12 monolayers as catalysts for electrochemical reduction of CO2. The results show that the TM–Bβ12 monolayer structure has excellent catalytic stability and electrocatalytic selectivity. The primary reduction product of Sc–Bβ12 is CO and the overpotential is 0.45 V. The primary reduction product of the remaining metals (Ti–Zn) is CH4, where Fe–Bβ12 has the minimum overpotential of 0.45 V. Therefore, these new catalytic materials are exciting. Furthermore, the underlying reaction mechanisms of CO2 reduction via the TM–Bβ12 monolayers have been revealed. This work will shed insights on both experimental and theoretical studies of electroreduction of CO2.

Graphical abstract: Efficient electrocatalytic reduction of carbon dioxide by metal-doped β12-borophene monolayers

Supplementary files

Article information

Article type
Paper
Submitted
31 Mai 2019
Accepted
13 Aug 2019
First published
03 Sep 2019
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2019,9, 27710-27719

Efficient electrocatalytic reduction of carbon dioxide by metal-doped β12-borophene monolayers

J. Liu, L. Yang and E. Ganz, RSC Adv., 2019, 9, 27710 DOI: 10.1039/C9RA04135D

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