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Journal article

Nuclear quantum effects in H(+) and OH(-) diffusion along confined water wires

Abstract:

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...

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Publication status:
Published
Peer review status:
Peer reviewed

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Files:
  • (Accepted manuscript, pdf, 2.8MB)
Publisher copy:
10.1021/acs.jpclett.6b01093

Authors


More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Max-Planck-Gesellschaft More from this funder
Publisher:
American Chemical Society Publisher's website
Journal:
Journal of Physical Chemistry Letters Journal website
Volume:
7
Issue:
15
Pages:
3001-3007
Publication date:
2016-08-01
Acceptance date:
2016-07-21
DOI:
ISSN:
1948-7185
Pmid:
27440483
Source identifiers:
636370
Language:
English
Keywords:
Pubs id:
pubs:636370
UUID:
uuid:3adddb73-0fc6-4631-8aae-1e37fad3e690
Local pid:
pubs:636370
Deposit date:
2016-10-04

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