Authors
C Richard A Catlow, Samuel A French, Alexey A Sokol, Abdullah A Al‐Sunaidi, Scott M Woodley
Publication date
2008/10/1
Journal
Journal of computational chemistry
Volume
29
Issue
13
Pages
2234-2249
Publisher
Wiley Subscription Services, Inc., A Wiley Company
Description
Computational techniques have been applied to study a broad range of chemical and physical properties of zinc oxide. Both interatomic‐potential and density functional theory methods are used to investigate structural, thermodynamic, surface, and defect properties. We survey the structures and energies of nano‐particulate zinc oxide. © 2008 Wiley Periodicals, Inc. J Comput Chem 2008
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CRA Catlow, SA French, AA Sokol, AA Al‐Sunaidi… - Journal of computational chemistry, 2008