ListarQFA_Articles por tema "Oxide minerals"
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Density Functional Theory Study on the Structural and Electronic Properties of Low Index Rutile Surfaces for TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 Composite Systems
American Chemical Society (2008-08)The present study is concerned with the structural and electronic properties of the TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 composite systems. Periodic quantum mechanical method with density functional theory at the B3LYP level ... -
Structural and Electronic Effects of Incorporating Mn in TiO2 Films Grown by Sputtering: Anatase versus Rutile
American Chemical Society (2012)Pure and Mn-doped TiO 2 films have been deposited by sputtering technique onto SiO 2 substrates. The films display a compact columnar morphology, as revealed by scanning electron microscopy. X-ray diffraction and Raman ...