CO oxidation on Ni and Cu embedded graphdiyne as efficient noble metal-free catalysts: A first-principles density-functional theory investigation
Xinyue Liu, Weinan Tang, Shujie Liu, Xiong Chen, Yupeng Li, Xiaoying Hu, Liang Qiao, Yi Zeng
Topics & Concepts
CatalysisDensity functional theoryAdsorptionAtom (system on chip)MetalSubstrate (aquarium)ChemistryNoble metalPhysical chemistryCrystallographyMaterials scienceComputational chemistryOrganic chemistryComputer scienceEmbedded systemGeologyOceanographyCatalytic Processes in Materials ScienceElectrocatalysts for Energy ConversionCatalysis and Oxidation Reactions