H2 Regulates the Sulfur Vacancy of Mo-Doped WS2 for Electrochemical Hydrogen Evolution Reaction

被引:0
|
作者
Liu, Lei [1 ]
Zhou, Xin [1 ]
Wang, Xinzhuo [1 ]
Liu, Ning [1 ]
Dai, Chengna [1 ]
Xu, Ruinian [1 ]
Yu, Gangqiang [1 ]
Wang, Ning [1 ]
Chen, Biaohua [1 ]
机构
[1] Beijing Univ Technol, Coll Environm Sci & Engn, Beijing 100124, Peoples R China
关键词
TOTAL-ENERGY CALCULATIONS; EFFICIENT; NANOSHEETS; ELECTROCATALYSTS; HETEROSTRUCTURES; CATALYST; SURFACE; 1T-WS2;
D O I
10.1021/acs.energyfuels.4c04913
中图分类号
TE [石油、天然气工业]; TK [能源与动力工程];
学科分类号
0807 ; 0820 ;
摘要
The development of efficient and economical nonprecious metal electrocatalysts is crucial for advancing the industrialization of the hydrogen evolution reaction (HER) in water electrolysis. WS2 has become a hotspot in HER research due to its unique physicochemical properties and potential applications. In this work, a series of Mo-WS2-n (n = 0, 0.3, 0.5 and 1.0, representing H2 pressure) samples with abundant sulfur vacancies were prepared by utilizing H2 as the structure directing agent (SDA). Among them, the Mo-WS2-0.5 sample possessing abundant sulfur vacancies demonstrated best acidic HER performance by displaying an overpotential of 146 mV at 10 mA cm-2 and the Tafel slope of 46.8 mV dec-1, which is superior to most reported WS2-based electrocatalysts. Furthermore, Mo-WS2-0.5 exhibits good stability, proving its potential in practical applications. During the synthesis process, H2 can effectively remove S atoms from WS2 to create sulfur vacancies. Theoretical calculations unravel that both Mo doping and sulfur vacancies can significantly reduce the Gibbs free energy of hydrogen atom adsorption (Delta G H) of WS2. This study not only offers new insights into understanding the effects of metal doping and sulfur vacancies in WS2 on acidic HER, but also provides a practical approach for designing low-cost and high-performance non-noble metal electrocatalysts.
引用
收藏
页码:23847 / 23856
页数:10
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