Trends in C–O and N–O bond scission on rutile oxides described using oxygen vacancy formation energies
Hai‐Yan Su, Xiufang Ma, Keju Sun, Chenghua Sun, Yongjun Xu, Federico Calle‐Vallejo
Abstract
may be used to design oxide catalysts, in particular those where lattice oxygen and/or oxygen vacancies participate in the catalytic cycles.
Topics & Concepts
RutileBond cleavageOxygenVacancy defectBond energyChemistryChain scissionMaterials sciencePhysical chemistryCrystallographyCatalysisOrganic chemistryMoleculePolymerCatalytic Processes in Materials ScienceElectronic and Structural Properties of OxidesSemiconductor materials and devices