Single transition metal atom supported on NiOOH as highly efficient electrocatalyst for oxygen reduction and oxygen evolution reaction: A DFT study
Jie Deng, Desheng Zheng, Xiuyun Zhao, Lei Zhao, Yue Zhou, Xiaoyue Fu, Yingjie Feng, Xin Chen
Topics & Concepts
BifunctionalCatalysisOxygen evolutionElectrocatalystChemistryTransition metalMulliken population analysisGibbs free energyDensity functional theoryMetalInorganic chemistryPhysical chemistryComputational chemistryElectrochemistryThermodynamicsElectrodeOrganic chemistryPhysicsBiochemistryElectrocatalysts for Energy ConversionAdvanced battery technologies researchFuel Cells and Related Materials