Density Functional Theory Study on Mechanism of Mercury Removal by CeO<sub>2</sub> Modified Activated Carbon

Density Functional Theory Study on Mechanism of Mercury Removal by CeO<sub>2</sub> Modified Activated Carbon

Doping of CeO<sub>2</sub> on activated carbon (AC) can promote its performance for mercury abatement in flue gas, while the Hg<sup>0</sup> removal mechanism on the AC surface has been rarely reported. In this research, density functional theory (DFT) calculations were impleme...

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Bibliographic Details
Main Authors: Li Zhao, Yang-wen Wu, Jian Han, Han-xiao Wang, Ding-jia Liu, Qiang Lu, Yong-ping Yang
Format: Article
Language:English
Published: MDPI AG 2018-10-01
Series:Energies
Subjects:
flue gas mercury removal
activated carbon sorbent
CeO<sub>2</sub> doping
density functional theory(DFT) calculations
Online Access:https://www.mdpi.com/1996-1073/11/11/2872

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https://www.mdpi.com/1996-1073/11/11/2872

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