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Discovery of single-atom alloy catalysts for CO2-to-methanol reaction by density functional theory calculations

Meng Li, Bin Hua, Lu‐Cun Wang, Zheng Zhou, Kara J. Stowers, Dong Ding

2020Catalysis Today44 citationsDOIOpen Access PDF

Topics & Concepts

CatalysisDensity functional theoryMethanolAlloyAtom (system on chip)ChemistryComputational chemistryMaterials sciencePhysical chemistryOrganic chemistryComputer scienceParallel computingCatalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsCatalysts for Methane Reforming
Discovery of single-atom alloy catalysts for CO2-to-methanol reaction by density functional theory calculations | Litcius