Journal
NANO RESEARCH
Volume 15, Issue 7, Pages 5946-5952Publisher
TSINGHUA UNIV PRESS
DOI: 10.1007/s12274-022-4267-9
Keywords
Ni doping; S vacancy; phase transformation; electronic structure; hydrogen evolution
Categories
Funding
- National Funds for Distinguished Young Scientists [61825503]
- National Natural Science Foundation of China [51902101, 61775101, 61804082]
- Natural Science Foundation of Jiangsu Province [BK20201381, BK20210577]
- Science Foundation of Nanjing University of Posts and Telecommunications [NY219144]
- National College Student Innovation and Entrepreneurship Training Program
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Heteroatom doping, specifically Ni-doping, was found to effectively enhance the catalytic activity of MoS2 for hydrogen evolution reaction. Distorted Ni-IT'-MoS2 with S vacancy exhibited favorable water adsorption energy and Gibbs free energy of hydrogen adsorption, resulting in a significantly improved catalytic performance.
Heteroatom doping is a promising approach to enhance catalytic activity by modulating physical properties, electronic structure, and reaction pathway. Herein, we demonstrate that appropriate Ni-doping could trigger a preferential transition of the basal plane from 2H (trigonal prismatic) to IT' (clustered Mo) by inducing lattice distortion and S vacancy (SV) and thus dramatically facilitate its catalytic hydrogen evolution activity. It is noteworthy that the unique catalysts did possess superior catalytic performance of hydrogen evolution reaction (HER). The rate of photocatalytic hydrogen evolution could reach 20.45 mmol.g(-1).h(-1) and reduced only slightly in the long period of the photocatalytic process. First-principles calculations reveal that the distorted Ni-IT'-MoS2 with SV could generate favorable water adsorption energy (Ead(H2O)) and Gibbs free energy of hydrogen adsorption (Delta G(H)). This work exhibits a facile and promising pathway for synergistically regulating physical properties, electronic structure, or wettability based on the doping strategy for designing HER electrocatalysts.
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