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Proton Transport through Water-Filled Carbon Nanotubes
Abstract
Proton transfer along 1D chains of water molecules inside carbon nanotubes is studied by simulations. Ab initio molecular dynamics and an empirical valence bond model yield similar structures and time scales. The proton mobility along 1D water chains exceeds that in bulk water by a factor of 40, but is reduced if orientational defects are present. Excess protons interact with hydrogen-bonding defects through long-range electrostatics, resulting in coupled motion of protons and defects.
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Citations
Cites
Lee, C., Yang, W., & Parr, R. G. (1988) · Physical Review B · doi:10.1103/physrevb.37.785 · Cited by 100,874
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Dendron-Mediated Self-Assembly, Disassembly, and Self-Organization of Complex Systems
Rosen, B. M., Wilson, C. J., Wilson, D. A., Peterca, M., Imam, M. R., & Percec, V. (2009) · Chemical Reviews · doi:10.1021/cr900157q · Cited by 1,204
Designing Carbon Nanotube Membranes for Efficient Water Desalination
Corry, B. (2008) · The Journal of Physical Chemistry B · doi:10.1021/jp709845u · Cited by 1,017
Rao, R., Pint, C. L., Islam, A. E., Weatherup, R. S., Hofmann, S., Meshot, E. R., Wu, F., Zhou, C., Dee, N., Amama, P. B., et al. (2018) · ACS Nano · doi:10.1021/acsnano.8b06511 · Cited by 588
The mechanism of proton conduction in phosphoric acid
Vilčiauskas, L., Tuckerman, M. E., Bester, G., Paddison, S. J., & Kreuer, K.-D. (2012) · Nature Chemistry · doi:10.1038/nchem.1329 · Cited by 586
Metadata
- Authors
- Dellago, C., Naor, M. M., & Hummer, G.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2003-03-14
- Volume
- 90
- Issue
- 10
- Pages
- 105902-105902
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2082794278
- Cited by
- 394
- References
- 1
- FWCI
- 14.60
- Type
- journal article
- Language
- en
- Open access
- closed
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
