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Theoretical and experimental investigations of mercury adsorption on hematite surfaces
One of the biggest environmental concerns caused by coal-fired power plants is the emission of mercury (Hg), which is toxic metal. To control the emission of Hg from coal-derived flue gas, it is important to understand the behavior and speciation of Hg as well as the interaction between Hg and solid materials in the flue gas stream. In this study, atomic-scale theoretical investigations using density functional theory (DFT) were carried out in conjunction with laboratory-scale experimentaldoi:10.6084/m9.figshare.5334388.v1 fatcat:f6s534vs5bgefpjb4ppqp3vwhi