Molecular adsorption properties of CH4 with noble metals doped onto oxygen vacancy defect of anatase TiO2 (1 0 1) surface: First-principles calculations
Long Lin, Zhengguang Shi, Jingtao Huang, Pengtao Wang, Weiyang Yu, Chaozheng He, Zhanying Zhang
Topics & Concepts
AnataseAdsorptionDensity functional theoryDopingMaterials scienceAtom (system on chip)Vacancy defectNoble metalMethaneOxygenPhysical chemistryInorganic chemistryChemistryChemical physicsComputational chemistryMetalCrystallographyCatalysisPhotocatalysisOrganic chemistryEmbedded systemMetallurgyOptoelectronicsComputer scienceCatalytic Processes in Materials ScienceGas Sensing Nanomaterials and SensorsCatalysis and Oxidation Reactions