Tuning the N Coordination Environment of Ir Single-Atom-Catalyst for Highly Efficient ORR and OER: A Computational Study
Ying Zhu, Zhongxu Wang
Topics & Concepts
BifunctionalCatalysisChemistryElectrocatalystOxygen evolutionDensity functional theoryAtom (system on chip)NanotechnologyComputational chemistryElectrochemistryPhysical chemistryMaterials scienceElectrodeOrganic chemistryComputer scienceEmbedded systemCatalytic Processes in Materials ScienceAmmonia Synthesis and Nitrogen ReductionElectrocatalysts for Energy Conversion