Size effect on oxygen vacancy formation and gaseous adsorption in ZnO nanocrystallites for gas sensors: a first principle calculation study
Jianqiao Liu, Fengjiao Gao, Liting Wu, Haipeng Zhang, Wusong Hong, Guohua Jin, Zhaoxia Zhai, Ce Fu
Topics & Concepts
CrystalliteAdsorptionOxygenVacancy defectMaterials scienceSemiconductorActivation energyDensity functional theoryChemistryChemical physicsAnalytical Chemistry (journal)Chemical engineeringCrystallographyPhysical chemistryComputational chemistryOptoelectronicsOrganic chemistryEngineeringGas Sensing Nanomaterials and SensorsZnO doping and propertiesGa2O3 and related materials