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