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Density functional theory study of N2 adsorption and dissociation on 3d transition metal atoms doped Ir(1 0 0) surface

Wei Song, Weichao Peng, Pengfei Ma, Xiao Liu, Yongliang Guo, Chaozheng He, Ling Fu

2022Applied Surface Science23 citationsDOI

Topics & Concepts

Dissociation (chemistry)ElectrocatalystCatalysisDensity functional theoryAdsorptionTransition metalChemistryDopingAmmoniaInorganic chemistryBond-dissociation energyMetalPhysical chemistryPhotochemistryMaterials scienceElectrochemistryComputational chemistryElectrodeOrganic chemistryOptoelectronicsAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesCatalytic Processes in Materials Science
Density functional theory study of N2 adsorption and dissociation on 3d transition metal atoms doped Ir(1 0 0) surface | Litcius