Computational screening of nonmetal dopants to active MoS2 basal-plane for hydrogen evolution reaction via structural descriptor
Xiaopei Xu, Zhipeng Peng, Haoxiang Xu, Daojian Cheng
Topics & Concepts
NonmetalDopantOverpotentialChemistryCatalysisHydrogenDensity functional theoryDopingComputational chemistryInorganic chemistryChemical physicsPhysical chemistryMaterials scienceMetalOrganic chemistryElectrochemistryOptoelectronicsElectrodeElectrocatalysts for Energy ConversionAdvanced Photocatalysis Techniques2D Materials and Applications