Ab Initio Study of Proton Transfer and Interfacial Properties in Phosphoric Acid-Doped Polybenzimidazole-Reference-Cited by-同舟云学术

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Ab Initio Study of Proton Transfer and Interfacial Properties in Phosphoric Acid-Doped Polybenzimidazole

Published:2013-08-14 Issue:8 Volume:22 Page:410-425
ISSN:1022-1344
Container-title:Macromolecular Theory and Simulations
language:en
Short-container-title:Macromol. Theory Simul.

Author:

Li Shuo¹,Fried J. R.¹²

Affiliation:

1. Department of Chemical Engineering; University of Cincinnati; Cincinnati OH 45221-0012 USA

2. Chemical and Materials Engineering; University of Dayton; Dayton OH 45469-0240 USA

Publisher

Wiley

Subject

Materials Chemistry,Inorganic Chemistry,Polymers and Plastics,Organic Chemistry,Condensed Matter Physics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/mats.201300002/fullpdf

Reference75 articles.

1. The Grotthuss mechanism

2. Atomistic Simulation of Water Percolation and Proton Hopping in Nafion Fuel Cell Membrane

3. Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology

4. Modeling condensed-phase chemistry through molecular dynamics simulation

5. 1968 W. G. Grot

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1. Ion conductive mechanisms and redox flow battery applications of polybenzimidazole-based membranes;Energy Storage Materials;2022-03

2. Poly(2,5-benzimidazole)/trisilanolphenyl POSS composite membranes for intermediate temperature PEM fuel cells;Journal of Wuhan University of Technology-Mater. Sci. Ed.;2018-01-31

3. Ab initio study of hydrogen bonding in the H3PO2 dimer and H3PO2–DMF complex;Journal of Molecular Modeling;2017-07-08

4. Ab initio molecular dynamics study of H-bonding and proton transfer in the phosphoric acid–N,N-Dimethylformamide system;The Journal of Chemical Physics;2016-09-28

5. Proton transfer in the molecular complexes of phosphorus acids with DMSO;Structural Chemistry;2016-06-17

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