Base tolerant polybenzimidazolium hydroxide membranes for solid alkaline-exchange membrane fuel cells

Ju Yeon Lee; Dong Hee Lim; Ji Eon Chae; Jieun Choi; Bo Hyun Kim; So Young Lee; Chang Won Yoon; Sang Yong Nam; Jong Hyun Jang; Dirk Henkensmeier; Sung Jong Yoo; Jin Young Kim; Hyoung Juhn Kim; Hyung Chul Ham

doi:10.1016/j.memsci.2016.05.012

Base tolerant polybenzimidazolium hydroxide membranes for solid alkaline-exchange membrane fuel cells

Ju Yeon Lee, Dong Hee Lim, Ji Eon Chae, Jieun Choi, Bo Hyun Kim, So Young Lee, Chang Won Yoon, Sang Yong Nam, Jong Hyun Jang, Dirk Henkensmeier, Sung Jong Yoo, Jin Young Kim, Hyoung Juhn Kim, Hyung Chul Ham

Research output: Contribution to journal › Article › peer-review

14 Scopus citations

Abstract

Poly(dibenzylated benzimidazolium) bromides (Bz-PBI-Br) were converted successfully to OH^- ion conducting poly(dibenzylated benzimidazolium) hydroxides (Bz-PBI-hydroxides) by the treatment of KOH. The Bz-PBI-hydroxides obtained in this study showed an excellent alkali tolerance compared to previously synthesized poly(dimethylated benzimidazolium) hydroxides (Me-PBI-hydroxides). According to ¹H-NMR analysis, Me-PBI-hydroxides were decomposed during KOH treatment. In order to find out the reason, density functional theory (DFT) calculations of two benzimidazolium structures, e.g., dimethylated benzimidazolium (Me-BI⁺) and dibenzylated benzimidazolium (Bz-BI⁺), were performed. Bz-BI⁺ showed lower electron affinity and OH^--binding energies at the C2 position of the benzimidazolium ring than Me-BI⁺. These DFT results strongly confirm that Bz-BI⁺ is less vulnerable to an OH^- attack than Me-BI⁺; this contributes to the enhanced stability and OH^- ion conductivity of the Bz-PBI-hydroxides.

Original language	English
Pages (from-to)	398-406
Number of pages	9
Journal	Journal of Membrane Science
Volume	514
DOIs	https://doi.org/10.1016/j.memsci.2016.05.012
State	Published - 15 Sep 2016
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2016 Elsevier B.V.

Keywords

Density functional theory
Electron affinity
OH ion conductivity
Poly(dibenzylated benzimidazolium) hydroxide
Solid alkaline membrane fuel cell

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10.1016/j.memsci.2016.05.012

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Lee, J. Y., Lim, D. H., Chae, J. E., Choi, J., Kim, B. H., Lee, S. Y., Yoon, C. W., Nam, S. Y., Jang, J. H., Henkensmeier, D., Yoo, S. J., Kim, J. Y., Kim, H. J., & Ham, H. C. (2016). Base tolerant polybenzimidazolium hydroxide membranes for solid alkaline-exchange membrane fuel cells. Journal of Membrane Science, 514, 398-406. https://doi.org/10.1016/j.memsci.2016.05.012

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title = "Base tolerant polybenzimidazolium hydroxide membranes for solid alkaline-exchange membrane fuel cells",

abstract = "Poly(dibenzylated benzimidazolium) bromides (Bz-PBI-Br) were converted successfully to OH- ion conducting poly(dibenzylated benzimidazolium) hydroxides (Bz-PBI-hydroxides) by the treatment of KOH. The Bz-PBI-hydroxides obtained in this study showed an excellent alkali tolerance compared to previously synthesized poly(dimethylated benzimidazolium) hydroxides (Me-PBI-hydroxides). According to 1H-NMR analysis, Me-PBI-hydroxides were decomposed during KOH treatment. In order to find out the reason, density functional theory (DFT) calculations of two benzimidazolium structures, e.g., dimethylated benzimidazolium (Me-BI+) and dibenzylated benzimidazolium (Bz-BI+), were performed. Bz-BI+ showed lower electron affinity and OH--binding energies at the C2 position of the benzimidazolium ring than Me-BI+. These DFT results strongly confirm that Bz-BI+ is less vulnerable to an OH- attack than Me-BI+; this contributes to the enhanced stability and OH- ion conductivity of the Bz-PBI-hydroxides.",

keywords = "Density functional theory, Electron affinity, OH ion conductivity, Poly(dibenzylated benzimidazolium) hydroxide, Solid alkaline membrane fuel cell",

author = "Lee, {Ju Yeon} and Lim, {Dong Hee} and Chae, {Ji Eon} and Jieun Choi and Kim, {Bo Hyun} and Lee, {So Young} and Yoon, {Chang Won} and Nam, {Sang Yong} and Jang, {Jong Hyun} and Dirk Henkensmeier and Yoo, {Sung Jong} and Kim, {Jin Young} and Kim, {Hyoung Juhn} and Ham, {Hyung Chul}",

note = "Publisher Copyright: {\textcopyright} 2016 Elsevier B.V.",

year = "2016",

month = sep,

day = "15",

doi = "10.1016/j.memsci.2016.05.012",

language = "English",

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T1 - Base tolerant polybenzimidazolium hydroxide membranes for solid alkaline-exchange membrane fuel cells

AU - Lee, Ju Yeon

AU - Lim, Dong Hee

AU - Chae, Ji Eon

AU - Choi, Jieun

AU - Kim, Bo Hyun

AU - Lee, So Young

AU - Yoon, Chang Won

AU - Nam, Sang Yong

AU - Jang, Jong Hyun

AU - Henkensmeier, Dirk

AU - Yoo, Sung Jong

AU - Kim, Jin Young

AU - Kim, Hyoung Juhn

AU - Ham, Hyung Chul

PY - 2016/9/15

Y1 - 2016/9/15

N2 - Poly(dibenzylated benzimidazolium) bromides (Bz-PBI-Br) were converted successfully to OH- ion conducting poly(dibenzylated benzimidazolium) hydroxides (Bz-PBI-hydroxides) by the treatment of KOH. The Bz-PBI-hydroxides obtained in this study showed an excellent alkali tolerance compared to previously synthesized poly(dimethylated benzimidazolium) hydroxides (Me-PBI-hydroxides). According to 1H-NMR analysis, Me-PBI-hydroxides were decomposed during KOH treatment. In order to find out the reason, density functional theory (DFT) calculations of two benzimidazolium structures, e.g., dimethylated benzimidazolium (Me-BI+) and dibenzylated benzimidazolium (Bz-BI+), were performed. Bz-BI+ showed lower electron affinity and OH--binding energies at the C2 position of the benzimidazolium ring than Me-BI+. These DFT results strongly confirm that Bz-BI+ is less vulnerable to an OH- attack than Me-BI+; this contributes to the enhanced stability and OH- ion conductivity of the Bz-PBI-hydroxides.

AB - Poly(dibenzylated benzimidazolium) bromides (Bz-PBI-Br) were converted successfully to OH- ion conducting poly(dibenzylated benzimidazolium) hydroxides (Bz-PBI-hydroxides) by the treatment of KOH. The Bz-PBI-hydroxides obtained in this study showed an excellent alkali tolerance compared to previously synthesized poly(dimethylated benzimidazolium) hydroxides (Me-PBI-hydroxides). According to 1H-NMR analysis, Me-PBI-hydroxides were decomposed during KOH treatment. In order to find out the reason, density functional theory (DFT) calculations of two benzimidazolium structures, e.g., dimethylated benzimidazolium (Me-BI+) and dibenzylated benzimidazolium (Bz-BI+), were performed. Bz-BI+ showed lower electron affinity and OH--binding energies at the C2 position of the benzimidazolium ring than Me-BI+. These DFT results strongly confirm that Bz-BI+ is less vulnerable to an OH- attack than Me-BI+; this contributes to the enhanced stability and OH- ion conductivity of the Bz-PBI-hydroxides.

KW - Density functional theory

KW - Electron affinity

KW - OH ion conductivity

KW - Poly(dibenzylated benzimidazolium) hydroxide

KW - Solid alkaline membrane fuel cell

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DO - 10.1016/j.memsci.2016.05.012

M3 - Article

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SN - 0376-7388

VL - 514

SP - 398

EP - 406

JO - Journal of Membrane Science

JF - Journal of Membrane Science

ER -

Base tolerant polybenzimidazolium hydroxide membranes for solid alkaline-exchange membrane fuel cells

Abstract

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Keywords

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