The strain and transition metal doping effects on monolayer Cr2O3 for hydrogen evolution reaction: The first principle calculations
Ziwei Zhao, Chaoming Liu, Hsu‐Sheng Tsai, Jiaming Zhou, Yanqing Zhang, Tianqi Wang, Guoliang Ma, Chunhua Qi, Mingxue Huo
Topics & Concepts
MonolayerCatalysisTransition metalDensity functional theoryDopingMaterials scienceGibbs free energyHydrogenOxideAdsorptionChemical physicsInorganic chemistryNanotechnologyPhysical chemistryChemistryComputational chemistryThermodynamicsMetallurgyOptoelectronicsPhysicsOrganic chemistryElectrocatalysts for Energy ConversionAdvanced Photocatalysis TechniquesChalcogenide Semiconductor Thin Films