@article{Ling2022, 
author = {Min Ling and Na Li and Binbin Jiang and Renyong Tu and Tao Wu and Pingli Guan and Yin Ye and Weng-Chon (Max) Cheong and Kaian Sun and Shoujie Liu and Konglin Wu and Aijian Huang and Xianwen Wei},
title = {Rationally engineered Co and N co-doped WS2 as bifunctional catalysts for pH-universal hydrogen evolution and oxidative dehydrogenation reactions},
year = {2022},
journal = {Nano Research},
volume = {15},
number = {3},
pages = {1993-2002},
keywords = {density functional theory (DFT) calculation, WS2, bifunctional catalyst, heteroatomic doping, electrolysis of water},
url = {https://www.sciopen.com/article/10.1007/s12274-021-3898-6},
doi = {10.1007/s12274-021-3898-6},
abstract = {In the field of electrolysis of water, the design and synthesis of catalysts over a wide pH range have attracted extensive attentions. In this paper, Co and N are co-introduced into the structural unit of tungsten disulfide (WS2), and the hydrogen evolution reaction (HER) performances of different WS2-based catalysts are theoretically predicted and systematically studied by density functional theory (DFT) calculations. With the guidance of DFT calculations, an evaporation-pyrolysis strategy is applied to prepare Co and N co-doped WS2 (Co,N-WS2) flower-like nanosheets, which exhibits excellent HER performance over a wide pH range. In addition, the DFT calculations show that the active sites in Co,N-WS2 have a good ability of hydrogen adsorption after the introduction of Co and N, suggesting that such a co-doping system will be an ideal catalyst for oxidative dehydrogenation (ODH). The following experiment results indeed evidence that the Co,N-WS2 catalyst displays a high activity in the ODH of 1,2,3,4-tetrahydroquinoline (4H-quinoline) and its derivatives. Therefore, this work provides a good example for the rational design and accurate preparation of functional catalysts, which enables it possible to develop other efficient catalysts with multiple functions.}
}