Precise electronic structure modulation on MXene-based single atom catalysts for high-performance electrocatalytic CO2 reduction reaction: A first-principle study
Shoufu Cao, Yuchun Liu, Yuying Hu, Jiao Li, Chunyu Yang, Zengxuan Chen, Zhaojie Wang, Shuxian Wei, Siyuan Liu, Xiaoqing Lü
Topics & Concepts
CatalysisRedoxValence (chemistry)Vacancy defectElectronic structureMaterials scienceOxidation stateTransition metalChemistryCombinatorial chemistryCrystallographyInorganic chemistryComputational chemistryOrganic chemistryElectrocatalysts for Energy ConversionCO2 Reduction Techniques and CatalystsMXene and MAX Phase Materials