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DFT-GGA and DFT+U Simulations of Thin Water Layers on Reduced TiO2 Anatase

Tilocca, A; Selloni, A; (2012) DFT-GGA and DFT+U Simulations of Thin Water Layers on Reduced TiO2 Anatase. JOURNAL OF PHYSICAL CHEMISTRY C , 116 (16) pp. 9114-9121. 10.1021/jp301624v.

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Type: Article
Title: DFT-GGA and DFT+U Simulations of Thin Water Layers on Reduced TiO2 Anatase
DOI: 10.1021/jp301624v
Keywords: Science & Technology, Physical Sciences, Technology, Chemistry, Physical, Nanoscience & Nanotechnology, Materials Science, Multidisciplinary, Chemistry, Science & Technology - Other Topics, Materials Science, CHEMISTRY, PHYSICAL, MATERIALS SCIENCE, MULTIDISCIPLINARY, NANOSCIENCE & NANOTECHNOLOGY, 1ST-PRINCIPLES MOLECULAR-DYNAMICS, TITANIUM-DIOXIDE, SURFACE SCIENCE, RUTILE TIO2, TIO2(101), INTERFACE, ADSORPTION, PHOTOCATALYSIS, DISSOCIATION, SPECTROSCOPY
UCL classification: UCL > School of BEAMS
UCL > School of BEAMS > Faculty of Maths and Physical Sciences
URI: http://discovery.ucl.ac.uk/id/eprint/1346001
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