Mechanistic studies of mercury adsorption and oxidation by oxygen over spinel-type MnFe2O4
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- 作者：Yingju Yanga ; Jing Liua ; b ; liujing27@mail.hust.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Bingkai Zhanga ; Feng Liua
- 关键词：Mercury adsorption ; Oxidation mechanism ; MnFe2O4 ; Density functional theory
- 刊名：Journal of Hazardous Materials
- 出版年：2017
- 出版时间：5 January 2017
- 年：2017
- 卷：321
- 期：Complete
- 页码：154-161
- 全文大小：2936 K
文摘
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Hg adsorption and oxidation mechanisms on MnFe2O4 were studied using DFT method.
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Hg0 adsorption on Mn-terminated MnFe2O4 (100) surface is a chemisorption process.
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HgO shows high chemical reactivity for its adsorption on MnFe2O4 surface.
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The reaction between adsorbed Hg and surface oxygen is the rate-determining step.