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Water Alignment and Proton Conduction inside Carbon Nanotubes
Abstract
First-principles molecular dynamics simulations have been carried out to investigate the structure, electronic properties, and proton conductivity of water confined inside single-walled carbon nanotubes. The simulations predict the formation of a strongly connected one-dimensional hydrogen-bonded water wire resulting in a net electric dipole moment directed along the nanotube axis. An excess proton injected into the water wire is found to be significantly stabilized, relative to the gas phase, due to the high polarizability of the carbon nanotube.
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Citations
Cited by
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Ball, P. (2008) · Chemical Reviews · doi:10.1021/cr068037a · Cited by 2,177
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Wang, Y., Ruiz Diaz, D. F., Chen, K. S., Wang, Z., & Adroher, X. C. (2020) · Materials Today · doi:10.1016/j.mattod.2019.06.005 · Cited by 1,419
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
Critical Knowledge Gaps in Mass Transport through Single-Digit Nanopores: A Review and Perspective
Faucher, S., Aluru, N., Bazant, M. Z., Blankschtein, D., Brozena, A. H., Cumings, J., Pedro de Souza, J., Elimelech, M., Epsztein, R., Fourkas, J. T., et al. (2019) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.9b02178 · Cited by 365
Ordered water inside carbon nanotubes: formation of pentagonal to octagonal ice-nanotubes
Maniwa, Y., Kataura, H., Abe, M., Udaka, A., Suzuki, S., Achiba, Y., Kira, H., Matsuda, K., Kadowaki, H., & Okabe, Y. (2005) · Chemical Physics Letters · doi:10.1016/j.cplett.2004.11.112 · Cited by 301
Metadata
- Authors
- Mann, D. J., & Halls, M. D.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2003-05-15
- Volume
- 90
- Issue
- 19
- Pages
- 195503-195503
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2086529224
- Cited by
- 260
- References
- 0
- FWCI
- 11.53
- 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.
