Phase, microstructure evolution, and periodic density functional theory study of reduction and nitridation of V2O3 with clean ammonia gas
Yongjie Liu, Fupeng He, Qingqing Hu, Qingyun Huang, Xuyang Liu, Zhixiong You, Guibao Qiu, Xuewei Lv
Topics & Concepts
Density functional theoryAdsorptionVanadium nitrideMaterials scienceDissociation (chemistry)Endothermic processAmmoniaDesorptionNitrideMicrostructureVanadiumOxideDecompositionInorganic chemistryChemical engineeringVanadium oxidePhysical chemistryMetallurgyChemistryComputational chemistryNanotechnologyLayer (electronics)Organic chemistryEngineeringCatalytic Processes in Materials ScienceZnO doping and propertiesGas Sensing Nanomaterials and Sensors