Structure-activity relationship of VO /TiO2 catalysts for mercury oxidation: A DFT study
Dongjae Shin, Moon Hyeon Kim, Jeong Woo Han
Topics & Concepts
CatalysisDensity functional theoryChemistryGibbs free energyMercury (programming language)HydroxylationCombustionVanadiumInorganic chemistryRedoxComputational chemistryChemical engineeringPhysical chemistryThermodynamicsOrganic chemistryComputer sciencePhysicsProgramming languageEngineeringEnzymeMercury impact and mitigation studiesCatalytic Processes in Materials ScienceGas Sensing Nanomaterials and Sensors