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Abstract

We have calculated the electronic and optical properties of Eu-doped, N-doped, and (Eu,N)-codoped TiO2 using plane-wave pseudopotential method based on the density functional theory. The calculated results show that there are impurity levels of Eu 4f appearing in the band gap of Eu-doped system, and N-doped system can lead to narrowing of the band gap. Moreover, the synergistic effect of the Eu and N codoped TiO2 leads to the lattice distortion and band gap narrowing. Optical absorption curves indicate that the (Eu,N)-codoped system exhibits a significant red-shift of absorption edge, which enhances the visible-light photocatalytic activity.

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Liu Fang^1,2,
Jiang Zhen-Yi¹

1.
2.
Funds:Project supported by the National Natural Science Foundation of China (Grant Nos. 10647008, 50971099), the Research Fund for the Doctoral Program of Higher Education, China (Grant No. 20096101110017).

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Cited By

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Vol. 62, Issue 19 - 2013-10-05

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