Rational design of MoS2/CNT heterostructure with rich S-vacancy for enhanced HER performance

• DOI: 10.1063/5.0237254
• Publication Date: 2024-11-11T13:10:41Z
• Authors: Yuxin Sun; Jinhua Li; Zhiying Wang; Fengxue Tan; Kaixi Shi; Yingjiao Zhai
• Keywords: Molybdenum disulfide; Specific surface area

Molybdenum disulfide (MoS2) is a promising electrocatalyst for the hydrogen evolution reaction (HER) due to excellent stability and low cost. However, utilization in electrocatalytic constrained by inherent shortcomings, including fewer edge active sites, poor dispersion, electrical conductivity. In this work, MoS2 was compounded with carbon nanotubes (CNTs), which are known their high specific surface area These CNTs, laden oxygen-containing functional groups, provided nucleation sites that facilitated rapid assembly of nanoflowers under hydrothermal conditions within 3 h. Due diminutive size (∼300 nm), these possess large numerous at edges. Furthermore, exhibited concentration intrinsic S-vacancies. This heterojunction material superior HER properties. addition, density theory simulation further confirmed S vacancy CNT electrocatalysts (VS-M/C) fast charge transfer pathway water electrolysis, analysis showed conduction band minimum valence maximum were mainly contributed d orbits Mo p C. study proffered novel approach engineering high-performance MoS2-based electrocatalysts.