Zinc oxide: A case study in contemporary computational solid state chemistry.
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.
Catlow
C Richard A
CR
Department of Chemistry, University College London, 3rd Floor, Kathleen Lonsdale Building, Gower Street, London WC1E 6BT, United Kingdom.
French
Samuel A
SA
Sokol
Alexey A
AA
Al-Sunaidi
Abdullah A
AA
Woodley
Scott M
SM