Catalytic activity of Ni3Mo surfaces for hydrogen evolution reaction: A density functional theory approach
Nguyet N. T. Pham, Sung Gu Kang, Hyoung-Juhn Kim, Chanho Pak, Byungchan Han, Seung Geol Lee
Topics & Concepts
CatalysisDensity functional theoryChemisorptionDissociation (chemistry)HydrogenAdsorptionChemistryInorganic chemistryMetalPlatinumPhysical chemistryHydrogen atomComputational chemistryOrganic chemistryAlkylElectrocatalysts for Energy ConversionAdvanced battery technologies researchCatalysis and Hydrodesulfurization Studies