Hydroxide ion transfer in anion exchange membrane: A density functional theory study

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Hydroxide ion transfer in anion exchange membrane: A density functional theory study

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作者：Guoqing Yang ; Juanyuan Hao ; ^{jyhao@dlut.edu.cn" class="auth_mail" title="E-mail the corresponding author} ; Jie Cheng ; Ning Zhang ; Gaohong He ; Fengxiang Zhang ; Ce Hao ; ^{haoce@dlut.edu.cn" class="auth_mail" title="E-mail the corresponding author}
关键词：Anion exchange membrane ; Rotation ; Hydrogen bond ; Hydroxide ions transport mechanism ; Density functional theory
刊名：International Journal of Hydrogen Energy
出版年：2016
出版时间：4 May 2016
年：2016
卷：41
期：16
页码：6877-6884
全文大小：1246 K

文摘

•: The OH⁻ transport mechanism in quaternary ammonium functionalized polystyrene was studied by DFT.
•: There were two steps in the OH⁻ transport process in anion exchange membrane.
•: The role of hydrogen bonding was investigated by DFT.
•: The rotation about ionic groups was studied in detail during OH⁻ transport.

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