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Density functional theory study of rutile VO2 surfaces

Mellan, TA; Grau-Crespo, R; (2012) Density functional theory study of rutile VO2 surfaces. JOURNAL OF CHEMICAL PHYSICS , 137 (15) 10.1063/1.4758319.

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Type: Article
Title: Density functional theory study of rutile VO2 surfaces
DOI: 10.1063/1.4758319
Keywords: Science & Technology, Physical Sciences, Chemistry, Physical, Physics, Atomic, Molecular & Chemical, Chemistry, Physics, adsorption, chemical potential, density functional theory, free energy, oxidation, oxygen, reduction (chemical), stoichiometry, surface energy, surface morphology, surface states, vanadium compounds, CHEMICAL-VAPOR-DEPOSITION, DOPED VANADIUM DIOXIDE, METAL-INSULATOR-TRANSITION, TOTAL-ENERGY CALCULATIONS, AUGMENTED-WAVE METHOD, OXYGEN VACANCIES, TIO2 110, THIN-FILMS, SINGLE-CRYSTALS, BASIS-SET
UCL classification: UCL > Office of the President and Provost
UCL > School of BEAMS
URI: http://discovery.ucl.ac.uk/id/eprint/1369518
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