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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
(Amer Chemical Soc, 2008-09-25)
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 ...
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
(Amer Chemical Soc, 2008-09-25)
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 ...
Influence of laser pulse regime on the structure and optical properties of TiO2 nanolayers
(IOP Publishing, 2018-12)
TiO2 films were deposited onto glass substrates by pulsed laser deposition (PLD) in high vacuum under monopulse and multipulse excitation. After deposition, a thermal treatment on air atmosphere was done to promote ...
Structural and luminescent properties of europium doped TiO2 thick films synthesized by the ultrasonic spray pyrolysis
(INSTITUTE OF PHYSICS PUBLISHING, 2013-01-16)
Desenvolvimento de nanomateriais de TiO2/SiO2 pelo método sol-gel para aplicações nas áreas de energia e meio ambiente
(Universidade Federal de Minas GeraisBrasilICX - DEPARTAMENTO DE QUÍMICAPrograma de Pós-Graduação em QuímicaUFMG, 2019-07-30)
The objective of this work was to obtain xTiO2/(100-x)SiO2 thin films and particles (with x = 0, 20, 40, 60, 80 and 100%) by the sol-gel process for applications in energy and environment areas. The method of precursor ...
Photocatalytic Oxidation Of Selected Gas-phase Vocs Using Uv Light, Tio2, And Tio2/pd
(Springer HeidelbergHeidelberg, 2017)
A DFT + U study on structural, electronic, vibrational and thermodynamic properties of TiO 2 polymorphs and hydrogen titanate: tuning the Hubbard ‘ U -term’
(IOP Science, 2017-12-08)
Structural, electronic, vibrational and thermodynamic properties have been tested when Hubbard parameter U is implemented in density functional theory calculations for TiO2 polymorphs: anatase, rutile, TiO2?B and for ...
Surface and electronic structure of titanium dioxide photocatalysts
(Amer Chemical SocWashingtonEUA, 2000)