Mechanistic insights into the origin of the oxygen migration barrier
Daniele Vivona, Kiarash Gordiz, Randall J. Meyer, Sumathy Raman, Yang Shao‐Horn
Abstract
Electronic structure signatures of oxygen ion migration highlight new fundamental descriptors of the oxygen migration barrier based on the electronic structure of the local chemical environment.
Topics & Concepts
OxygenChemical physicsElectronic structureActivation barrierMaterials scienceChemistryNanotechnologyComputational chemistryDensity functional theoryOrganic chemistryMass Spectrometry Techniques and ApplicationsElectrochemical Analysis and ApplicationsAdvanced Memory and Neural Computing