First-principles calculations of Ca/F co-doped anatase TiO2

In order to understand the improved photocatalytic activity of Ca/F co-doped TiO2,the lattice parameters, energy band structures, density of states and absorption spectraof pure, Ca doped, F doped and Ca/F co-doped anatase TiO2 were calculated by firstprinciples based on the density functional theo...

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Bibliographic Details
Main Author: Shukai Zheng
Format: Article
Language:English
Published: Elsevier 2016-05-01
Series:Kuwait Journal of Science
Subjects:
Online Access:https://journalskuwait.org/kjs/index.php/KJS/article/view/1167
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