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Electronic structure and photocatalytic activity of N/Mo doped anatase TiO2

Paper ID Volume ID Publish Year Pages File Format Full-Text
49861 46769 2012 5 PDF Available
Title
Electronic structure and photocatalytic activity of N/Mo doped anatase TiO2
Abstract

The electronic structures and optical properties of N and/or Mo doped TiO2 were calculated using spin-polarized density functional theory. The results indicated that N/Mo codoped TiO2 may be a good candidate for visible light photocatalyst due to the significant band gap narrowing. Experiments exhibited that the N/Mo doping showed a strong visible light absorption and a red shift in the band gap transition in comparison with undoped TiO2, in accordance with our theoretical values. The N/Mo codoped TiO2 sample exhibited the highest photocatalytic activity for the degradation of Rhodamine B under visible light, when the Mo-doping ratio reached 1 at.%.

Graphical abstractDOS plots for pure and 2 N/Mo-codoped TiO2; kinetic photodegradation curves for Rhodamine B by different kinds of TiO2.Figure optionsDownload full-size imageDownload as PowerPoint slideHighlights► The hybridized N 2p and Mo 4d states are formed in the valence band edge. ► N/Mo doped TiO2 causes a much more effective band gap narrowing than pure TiO2. ► N/Mo doped TiO2 exhibits the highest photocatalytic activity under visible light.

Keywords
TiO2; Electronic structures; Doping; Photocatalytic activity
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Electronic structure and photocatalytic activity of N/Mo doped anatase TiO2
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Publisher
Database: Elsevier - ScienceDirect
Journal: Catalysis Communications - Volume 29, 5 December 2012, Pages 175–179
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us