A non-metal doped VTe<sub>2</sub> monolayer: theoretical insights into the enhanced mechanism for the hydrogen evolution reaction
Yanwei Wang, Guofeng Li, Jisong Hu, Ge Gao, Ying Zhang, Guang‐Xia Shi, Yang Xu, Lei Zhang, Ling Fang, Yinwei Li
Abstract
and may serve as an effective predictor of HER activity. These findings shed light on non-metal doping as an effective strategy for developing efficient, non-noble metal HER catalysts based on TMDCs.
Topics & Concepts
MonolayerVanadiumTransition metalCatalysisHydrogenDopingMetalMaterials scienceMechanism (biology)Electronic structureChemical physicsReaction mechanismNanotechnologyChemistryInorganic chemistryComputational chemistryMetallurgyPhysicsOptoelectronicsOrganic chemistryQuantum mechanicsMachine Learning in Materials ScienceElectrocatalysts for Energy ConversionAdvanced Photocatalysis Techniques