作者
Bing Li, Yang Wu, Neng Li, Xingzhu Chen, Xianbing Zeng, Arramel, Xiujian Zhao, Jizhou Jiang
发表日期
2020/2/4
期刊
ACS applied materials & interfaces
卷号
12
期号
8
页码范围
9261-9267
出版商
American Chemical Society
简介
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 (|ΔGH|) of W2B2O2 decreases from |−0.67| to 0.013 eV by embedding a V adatom. This work should initiate 2D material MBene applications in green catalysis and energy sectors.
学术搜索中的文章
B Li, Y Wu, N Li, X Chen, X Zeng, Arramel, X Zhao… - ACS applied materials & interfaces, 2020