Complete catalytic reaction of mercury oxidation on CeO2/TiO2 (001) surface: A DFT study
Ye Jiang, Guomeng Zhang, Tianyu Liu, Zhengda Yang, Yichao Xu, Riyi Lin, Xin Wei Wang
Topics & Concepts
ChemistryAdsorptionCatalysisChemisorptionDissociation (chemistry)DesorptionInorganic chemistryChlorineReaction mechanismMercury (programming language)Density functional theoryActivation energyPhotochemistryPhysical chemistryComputational chemistryOrganic chemistryComputer scienceProgramming languageMercury impact and mitigation studies