Ab Initio Molecular Dynamics Study of Hydroxide Diffusion Mechanisms in Nanoconfined Structural Mimics of Anion Exchange Membranes-Reference-Cited by-同舟云学术

Ab Initio Molecular Dynamics Study of Hydroxide Diffusion Mechanisms in Nanoconfined Structural Mimics of Anion Exchange Membranes

Published:2019-02-05 Issue:8 Volume:123 Page:4638-4653
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Zelovich Tamar,Long Zhuoran,Hickner Michael¹^ORCID,Paddison Stephen J.²^ORCID,Bae Chulsung³^ORCID,Tuckerman Mark E.⁴^ORCID

Affiliation:

1. Department of Materials Science and Engineering, The Pennsylvania State University, University Park, State College, Pennsylvania 16802, United States

2. Department of Chemical & Biomolecular Engineering, University of Tennessee, Knoxville, Tennessee 37996, United States

3. Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, New York 12180, United States

4. NYU-ECNU Center for Computational Chemistry at NYU Shanghai, 3663 Zhongshan Road North, Shanghai 200062, China

Funder

Division of Materials Research

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.8b10298

Reference76 articles.

1. Water Confined in Nanotubes and between Graphene Sheets: A First Principle Study

2. A review of the structure and dynamics of nanoconfined water and ionic liquids via molecular dynamics simulation

3. Water conduction through the hydrophobic channel of a carbon nanotube

4. The Mechanism of Water Diffusion in Narrow Carbon Nanotubes

5. Molecular Dynamics Simulation of Water Confined in Carbon Nanotubes

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