Defect and strain engineered MoS₂/graphene catalyst for an enhanced hydrogen evolution reaction.

ABSTRACT: Molybdenum disulfide (MoS₂) has been demonstrated as a promising non-precious metal electrocatalyst for the hydrogen evolution reaction (HER). However the efficiency of the HER falls short of expectations due to the large inert basal plane and poor electrical conductivity. In order to activate the MoS₂ basal plane and enhance the hydrogen evolution reaction (HER) activity, two strategies on the hybrid MoS₂/graphene, including intrinsic defects and simultaneous strain engineering, have been systematically investigated based on density functional theory calculations. We firstly investigated the HER activity of a MoS₂/graphene hybrid material with seven types of point defect sites, V _S, V_S2, V _Mo, V<

SUBMITTER: Yang Z 

PROVIDER: S-EPMC9890562 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature