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Structural transitions and global minima of sodium chloride clusters

Abstract:

In recent experiments on sodium chloride clusters, structural transitions between nanocrystals with different cuboidal shapes were detected. Here we determine reaction pathways between the low-energy isomers of one of these clusters, (NaCl)35Cl-. The key process in these structural transitions is a highly cooperative rearrangement in which two parts of the nanocrystal slip past one another on a {110} plane in a 〈110〉 direction. In this way the nanocrystals can plastically deform, in contrast ...

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Publication status:
Published

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Publisher copy:
10.1103/PhysRevB.59.2292

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Journal:
Physical Review B More from this journal
Volume:
59
Issue:
3
Pages:
2292-2300
Publication date:
1999-01-15
DOI:
EISSN:
1095-3795
ISSN:
1098-0121
Language:
English
Pubs id:
pubs:36857
UUID:
uuid:e8baa402-877f-49b2-a48d-60e1f51c481b
Local pid:
pubs:36857
Source identifiers:
36857
Deposit date:
2012-12-19

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