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

• Published in: Nano research Vol. 15; no. 7; pp. 5946 - 5952
• Main Authors: Liu, Mingming, Li, Hengxu, Liu, Shijie, Wang, Longlu, Xie, Lingbin, Zhuang, Zechao, Sun, Chun, Wang, Jin, Tang, Meng, Sun, Shujiang, Liu, Shujuan, Zhao, Qiang
• Format: Journal Article
• Language: English
• Published: Beijing Tsinghua University Press 01.07.2022
• Subjects: Adsorbed water; Adsorption; Atomic/Molecular Structure and Spectra; Basal plane; Biomedicine; Biotechnology; Carbon; Catalysis; Catalysts; Catalytic activity; Chemistry and Materials Science; Condensed Matter Physics; Doping; Electrocatalysts; Electronic structure; Energy; Engineering; Evolution; First principles; Free energy; Gibbs free energy; Graphene; Hydrogen; Hydrogen evolution reactions; Hydrogen-based energy; Lattice vacancies; Materials Science; Molybdenum disulfide; Nanotechnology; Nickel; Phase transitions; Photocatalysis; Physical properties; Research Article; Wettability; hydrogen evolution; Ni doping; S vacancy; phase transformation; electronic structure

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′ (clu...