DFT study of the oxidation of Hg0 by O2 on an Mn-doped buckled g-C3N4 catalyst
Shuai Liu, Mengxia Xu, Yipei Chen, Xueliang Mu, Jiahui Yu, Gang Yang, Xiang Luo, Peng Jiang, Tao Wu
Topics & Concepts
Density functional theoryFlue-gas desulfurizationOxidizing agentCatalysisAdsorptionDopingFlue gasElemental mercuryChemical engineeringChemistrySulfurCoalMaterials scienceInorganic chemistryComputational chemistryPhysical chemistryOrganic chemistryOptoelectronicsEngineeringGas Sensing Nanomaterials and SensorsMercury impact and mitigation studiesZnO doping and properties