Theoretical calculation-driven rational screening of d-block single-atom electrocatalysts based on d–p orbital hybridization for durable aqueous zinc–iodine batteries
Jin Yang, Yuanhong Kang, Fanxiang Meng, Weiwei Meng, Guanhong Chen, Minghao Zhang, Zeheng Lv, Zhipeng Wen, Chengchao Li, Jinbao Zhao, Yang Yang
Abstract
Nb–NC single-atom electrocatalysts are rationally screened by theoretical calculations based on d–p orbital hybridization towards long-lasting aqueous Zn–I 2 batteries.
Topics & Concepts
Aqueous solutionZincAtom (system on chip)IodineChemistryMaterials scienceInorganic chemistryPhysical chemistryOrganic chemistryComputer scienceEmbedded systemElectrocatalysts for Energy ConversionAdvanced battery technologies researchElectrochemical Analysis and Applications