Physics and Chemistry at Oxide Surfaces

By C. Noguera. 2005

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Hybrid DFT calculations of the atomic and electronic structure for ABO3 perovskite (001) surfaces (2005, unknown): “Our study shows that the surfaces are quite stable, in agreement with ideas of a ‘‘weak polarity’’ [2,47,48] and existing experiments.”
Metal-supported ultrathin oxide film systems as designable catalysts and catalyst supports (2007, background): “Work function changes have been extensively discussed for a variety of systems, including oxide-metal, alkali-halide-metal and metal-semiconductor interfaces [26-28].”
Combined investigation of water sorption on TiO2 rutile (110) single crystal face: XPS vs. periodic DFT (2007, background): “This rumpling relaxation can be explained by a covalent character of the Ti–O bonds: it is easier to bend than to modify their length [73].”