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Hydration of metal surfaces can be dynamically heterogeneous and hydrophobic

Abstract:

We have applied molecular dynamics and methods of importance sampling to study structure and dynamics of liquid water in contact with metal surfaces. The specific surfaces considered resemble the 100 and 111 faces of platinum. Several results emerge that should apply generally, not just to platinum. These results are generic consequences of water molecules binding strongly to surfaces that are incommensurate with favorable hydrogen-bonding patterns. We show that adlayers of water under these ...

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Publication status:
Published

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Publisher copy:
10.1073/pnas.1301596110
Journal:
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA More from this journal
Volume:
110
Issue:
11
Pages:
4200-4205
Publication date:
2013-03-12
DOI:
EISSN:
1091-6490
ISSN:
0027-8424
Language:
English
Pubs id:
pubs:416207
UUID:
uuid:ad8744d3-1ae9-474d-ac5f-d07950dcb11b
Local pid:
pubs:416207
Source identifiers:
416207
Deposit date:
2013-11-16

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