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A molecular dynamics study of structural relaxation in tetrahedrally coordinated nanocrystals.

Abstract:

The reorganisation of nanocrystals in order to reduce their surface energies has been examined in computer simulations. The relaxation takes a qualitatively different path for sphalerite- and wurtzite-structured particles. The surfaces of the sphalerite particles reconstruct into hexagonal nets, but the interior remains identifiable as sphalerite-like, whereas wurtzite particles form facetted, hexagonal nanorods by virtue of a reorganisation of the whole particle which involves the creation o...

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Publication status:
Published

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Publisher copy:
10.1039/b701267e

Authors


Morgan, BJ More by this author
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Institution:
University of Oxford
Department:
Oxford, MPLS, Materials
Journal:
Physical chemistry chemical physics : PCCP
Volume:
9
Issue:
19
Pages:
2355-2361
Publication date:
2007-05-05
DOI:
EISSN:
1463-9084
ISSN:
1463-9076
URN:
uuid:9bf7b26f-e0d9-4a89-b8ea-dcca0fdaf10c
Source identifiers:
416442
Local pid:
pubs:416442

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