- Abstract:
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The diffusion of protons and hydroxide ions along water wires provides an efficient mechanism for charge transport that is exploited by biological membrane channels and shows promise for technological applications such as fuel cells. However, what is lacking for a better control and design of these systems is a thorough theoretical understanding of the diffusion process at the atomic scale. Here we focus on two aspects of this process that are often disregarded because of their high computati...
Expand abstract - Publication status:
- Published
- Peer review status:
- Peer reviewed
- Version:
- Accepted Manuscript
- Files:
-
-
(pdf, 2.8MB)
-
- Publisher copy:
- 10.1021/acs.jpclett.6b01093
-
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- Publisher:
- American Chemical Society Publisher's website
- Journal:
- Journal of Physical Chemistry Letters Journal website
- Volume:
- 7
- Issue:
- 15
- Pages:
- 3001-3007
- Publication date:
- 2016-08-05
- DOI:
- ISSN:
-
1948-7185
- Pubs id:
-
pubs:636370
- URN:
-
uri:3adddb73-0fc6-4631-8aae-1e37fad3e690
- UUID:
-
uuid:3adddb73-0fc6-4631-8aae-1e37fad3e690
- Local pid:
- pubs:636370
- Paper number:
- 15
- Language:
- English
- Keywords:
- Copyright holder:
- American Chemical Society
- Copyright date:
- 2016
- Notes:
-
Copyright © 2016 American Chemical Society. This is the accepted manuscript version of the article. The final version is available online from American Chemical Society at: https://doi.org/10.1021/acs.jpclett.6b01093
Journal article
Nuclear quantum effects in H(+) and OH(-) diffusion along confined water wires
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Max-Planck-Gesellschaft
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