Single-Metal Atoms Supported on MBenes for Robust Electrochemical Hydrogen Evolution

被引：89

作者：

Li, Bing ^{[1
]}

Wu, Yang ^{[1
]}

Li, Neng ^{[1
,2
]}

Chen, Xingzhu ^{[1
]}

Zeng, Xianbing ^{[1
]}

Arramel ^{[5
]}

Zhao, Xiujian ^{[1
]}

Jiang, Jizhou ^{[3
,4
]}

机构：

[1] Wuhan Univ Technol, State Key Lab Silicate Mat Architectures, Wuhan 430070, Hubei, Peoples R China

[2] Zhengzhou Univ, State Ctr Int Cooperat Designer Low Carbon, Sch Mat Sci & Engn, Zhengzhou 45001, Peoples R China

[3] Wuhan Inst Technol, Sch Environm Ecol & Biol Engn, Wuhan 430205, Hubei, Peoples R China

[4] Foshan Univ, Sch Mat Sci & Energy Engn, Foshan 528000, Peoples R China

[5] Natl Univ Singapore, Dept Phys, Singapore 117542, Singapore

来源：

ACS APPLIED MATERIALS & INTERFACES | 2020年 / 12卷 / 08期

基金：

中国国家自然科学基金;

关键词：

MBenes; HER; DFT; free energy; charge density difference; MXENES; ELECTROCATALYSTS; NANOSHEETS;

D O I：

10.1021/acsami.9b20552

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Two-dimensional (2D) photo- and electrocatalysts play a key role in hydrogen production through water splitting, and much efforts have been undertaken to seek a low-cost and efficient alternative candidate to noble-metal Pt. Herein, the method of introducing several different transition-metal atoms to tune the catalytic properties of 2D MBene is proposed. Density functional theory calculations reveal that the H-O bonding strength can be weakened by charge transfer between the oxygen atom and the introduced single-metal atom. The weakening of the bond greatly improves the MBene catalytic activity of hydrogen evolution reaction. Interestingly, the Gibbs free energy (vertical bar Delta G(H)vertical bar) of W2B2O2 decreases from vertical bar-0.67 vertical bar to 0.013 eV by embedding a V adatom. This work should initiate 2D material MBene applications in green catalysis and energy sectors.

引用

页码：9261 / 9267

页数：7

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