李海龙

教授 博士生导师 硕士生导师

入职时间:2011-12-29

所在单位:能源科学与工程学院

职务:副院长

学历:博士研究生毕业

办公地点:能源科学与工程学院303

性别:男

联系方式:hailong_li@126.com

学位:博士学位

在职信息:在职

毕业院校:华中科技大学

学科:动力工程及工程热物理

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刘锁江论文“Role of SO2 and H2O in the mercury adsorption on ceria surface: a DFT study”被Fuel(IF:5.128)接收发表(2019.09.25)

发布时间:2019-09-27

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简介:Ceria (CeO2) based catalysts have been widely reported as potential materials for elemental mercury (Hg0) oxidation in flue gas. However, the effect of sulfur dioxide (SO2) and water vapor (H2O) on Hg0 adsorption over CeO2, which is critical for subsequent Hg0 oxidation are still unclear. The detail reaction mechanisms involved in Hg0 adsorption on CeO2(111) surface in the presence of SO2 and H2O were investigated with first-principles calculations based on density functional theory. The results suggest that SO2 was chemical adsorbed on CeO2(111) surface through S atom interacting with O top site. The adsorption energies and density of state indicate that SO2 interacted with the surface lattice oxygen of CeO2 to form a SO3-like species.

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