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Research Article

Tailoring activation sites of metastable distorted 1T′-phase MoS2 by Ni doping for enhanced hydrogen evolution

Mingming Liu1,§, Hengxu Li1,§, Shijie Liu1,§, Longlu Wang1( ), Lingbin Xie2, Zechao Zhuang3, Chun Sun1, Jin Wang1( ), Meng Tang1, Shujiang Sun1, Shujuan Liu2, Qiang Zhao1,2( )
College of Electronic and Optical Engineering & College of Flexible Electronics (Future Technology), Nanjing University of Posts & Telecommunications, Nanjing 210023, China
State Key Laboratory of Organic Electronics and Information Displays & Jiangsu Key Laboratory for Biosensors, Institute of Advanced Materials (IAM) & Institute of Flexible Electronics (Future Technology), Nanjing University of Posts & Telecommunications, Nanjing 210023, China
Department of Chemistry, Tsinghua University, Beijing 100084, China

§ Mingming Liu, Hengxu Li, and Shijie Liu contributed equally to this work.

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Graphical Abstract

Appropriate Ni-doping could trigger a preferential transition of the basal plane from 2H (trigonal prismatic) to 1T′ (clustered Mo) by inducing lattice distortion and S vacancy (SV) and thus dramatically facilitate its catalytic hydrogen evolution activity.

Abstract

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 1T′ (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-1T′-MoS2 with SV could generate favorable water adsorption energy (Ead(H2O)) and Gibbs free energy of hydrogen adsorption (∆GH). 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.

Keywords

Ni dopingS vacancyphase transformationelectronic structurehydrogen evolution

Electronic Supplementary Material

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Nano Research
Volume 15 Issue 7,
July 2022
Pages 5946-5952
DOI: 10.1007/s12274-022-4267-9
Cite this article:
Liu M, Li H, Liu S, et al. Tailoring activation sites of metastable distorted 1T′-phase MoS2 by Ni doping for enhanced hydrogen evolution. Nano Research, 2022, 15(7): 5946-5952. https://doi.org/10.1007/s12274-022-4267-9
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Received: 10 February 2022
Revised: 18 February 2022
Accepted: 21 February 2022
Published: 02 May 2022
© Tsinghua University Press 2022
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