Theoretical study on the electronic and optical properties of (N, Fe)-codoped anatase TiO2 photocatalyst

Lichao Jia; Congcong Wu; Song Han; Nian Yao; Yuanyuan Li; Zongbao Li; Bo Chi; Jian Pu; Li Jian

doi:10.1016/j.jallcom.2011.03.012

Theoretical study on the electronic and optical properties of (N, Fe)-codoped anatase TiO₂ photocatalyst

Lichao Jia, Congcong Wu, Song Han, Nian Yao, Yuanyuan Li, Zongbao Li, Bo Chi, Jian Pu, Li Jian

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

77 Scopus citations

Abstract

Electronic and optical properties of pure, N-doped, Fe-doped and (N, Fe)-codoped anatase TiO₂ were evaluated, respectively, by using the density functional theory. The results indicate that the elemental doping narrows the band gap of TiO₂ and realize its visible-light response activity; and incorporation of Fe into N-doped TiO₂ further increases the photocatalytic activity under visible-light irradiation compared with that of the N-doped TiO₂.

Original language	English (US)
Pages (from-to)	6067-6071
Number of pages	5
Journal	Journal of Alloys and Compounds
Volume	509
Issue number	20
DOIs	https://doi.org/10.1016/j.jallcom.2011.03.012
State	Published - May 19 2011

All Science Journal Classification (ASJC) codes

Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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title = "Theoretical study on the electronic and optical properties of (N, Fe)-codoped anatase TiO2 photocatalyst",

abstract = "Electronic and optical properties of pure, N-doped, Fe-doped and (N, Fe)-codoped anatase TiO2 were evaluated, respectively, by using the density functional theory. The results indicate that the elemental doping narrows the band gap of TiO2 and realize its visible-light response activity; and incorporation of Fe into N-doped TiO2 further increases the photocatalytic activity under visible-light irradiation compared with that of the N-doped TiO2.",

author = "Lichao Jia and Congcong Wu and Song Han and Nian Yao and Yuanyuan Li and Zongbao Li and Bo Chi and Jian Pu and Li Jian",

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T1 - Theoretical study on the electronic and optical properties of (N, Fe)-codoped anatase TiO2 photocatalyst

AU - Jia, Lichao

AU - Wu, Congcong

AU - Han, Song

AU - Yao, Nian

AU - Li, Yuanyuan

AU - Li, Zongbao

AU - Chi, Bo

AU - Pu, Jian

AU - Jian, Li

PY - 2011/5/19

Y1 - 2011/5/19

N2 - Electronic and optical properties of pure, N-doped, Fe-doped and (N, Fe)-codoped anatase TiO2 were evaluated, respectively, by using the density functional theory. The results indicate that the elemental doping narrows the band gap of TiO2 and realize its visible-light response activity; and incorporation of Fe into N-doped TiO2 further increases the photocatalytic activity under visible-light irradiation compared with that of the N-doped TiO2.

AB - Electronic and optical properties of pure, N-doped, Fe-doped and (N, Fe)-codoped anatase TiO2 were evaluated, respectively, by using the density functional theory. The results indicate that the elemental doping narrows the band gap of TiO2 and realize its visible-light response activity; and incorporation of Fe into N-doped TiO2 further increases the photocatalytic activity under visible-light irradiation compared with that of the N-doped TiO2.

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U2 - 10.1016/j.jallcom.2011.03.012

DO - 10.1016/j.jallcom.2011.03.012

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SP - 6067

EP - 6071

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

SN - 0925-8388

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