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First-principles study on transition metal-doped anatase TiO(2)

The electronic structures, formation energies, and band edge positions of anatase TiO(2) doped with transition metals have been analyzed by ab initio band calculations based on the density functional theory with the planewave ultrasoft pseudopotential method. The model structures of transition metal...

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Bibliographic Details
Main Authors: Wang, Yaqin, Zhang, Ruirui, Li, Jianbao, Li, Liangliang, Lin, Shiwei
Format: Artigo
Language:Inglês
Published: Springer 2014
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC3914371/
https://ncbi.nlm.nih.gov/pubmed/24472374
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1556-276X-9-46
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