Energia de superfície para nanossuperfícies de TiO2 na direção (001)

Energia de superfície para nanossuperfícies de TiO2 na direção (001)

In this work was made an investigation about bulk and surface models (at maximum 20 layers) of the TiO2 material in the (001) direction. TiO2 commercial sample was feature using XDR technique to determine phase and crystallites average size. Bulk and (001) surface models were simulated for TiO2 mate...

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Bibliographic Details
Main Authors: Sergio de Lazaro, Renato Ferras Penteado, Sergio Mazureck Tebcherani, Danielle Berger, José Arana Varela, Evaldo Toniolo Kubaski
Format: Article
Language:English
Published: Sociedade Brasileira de Química 2012-01-01
Series:Química Nova
Subjects:
DFT
TiO2
rutile
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422012000500011&lng=en&tlng=en

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