Effects of metals doping on the removal of Hg and H 2 S over ceria
作者： Lixia Ling , Zhongbei Zhao , Senpeng Zhao , Qiang Wang , Baojun Wang
DOI: 10.1016/J.APSUSC.2017.01.126
关键词:
摘要: Abstract The effects of Mn and Fe doping into the CeO 2 (111) surface on simultaneous removal Hg H S was investigated, a density functional theory calculation with on-site Coulomb interaction taken account adopted. adsorptions Hg-containing species perfect (111), Mn/CeO Fe/CeO surfaces were studied, results showed that dopants facilitated adsorption, more charge transferred from atom to metal doped surfaces; HgS preferred adsorb dissociated mode, while molecular mode surfaces. reaction mechanism show by can easily react leading formation surfaces, which is crucial capture mercury.
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