Uncovering the coordination effect on the Ni single-atom catalysts for CO2 reduction including vacancy defect and non-vacancy defect structures
Beibei An, Jingsheng Zhou, Zhiyong Zhu, Yuanyuan Li, Li Wang, Jinglai Zhang
Topics & Concepts
Vacancy defectCatalysisAtom (system on chip)Materials scienceCrystallographyDensity functional theoryChemical physicsChemistryComputational chemistryOrganic chemistryEmbedded systemComputer scienceCO2 Reduction Techniques and CatalystsElectrocatalysts for Energy ConversionCatalytic Processes in Materials Science