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Spin-flip effect enhanced photocatalytic activity in Fe and single-electron-trapped oxygen vacancy co-doped TiO 2

Journal Article


Abstract


  • On the basis of density functional theory calculations and experimental results, we propose a spin-flip effect in a novel single-electron-trapped oxygen vacancy (SETOV; V o[rad] ) and Fe co-doped TiO 2 photocatalyst which improves significantly the propylene photo-oxidation under visible light illumination through the two spin channels photo-absorption and one spin channel recombination congestion. The presence of SETOV can make strongly localized Fe 3d states within the band gap get more delocalized, which not only increases the carrier mobility but also has an effect on restraining carrier recombination, thus resulting in the remarkably improved photocatalytic activity. Here the proposed photocatalytic process referring to spin-flip effect might afford a way for us about how to design a material owning the expected photoactivity in terms of spin selection rules about interband transition, opening the way to ground breaking applications in energy conversion.

Publication Date


  • 2018

Citation


  • Li, H., Ren, F., Li, Q., Yang, J., Wang, Y., & Cheng, Z. (2018). Spin-flip effect enhanced photocatalytic activity in Fe and single-electron-trapped oxygen vacancy co-doped TiO 2. Applied Surface Science, 457, 633-643. doi:10.1016/j.apsusc.2018.06.201

Scopus Eid


  • 2-s2.0-85049424362

Start Page


  • 633

End Page


  • 643

Volume


  • 457

Abstract


  • On the basis of density functional theory calculations and experimental results, we propose a spin-flip effect in a novel single-electron-trapped oxygen vacancy (SETOV; V o[rad] ) and Fe co-doped TiO 2 photocatalyst which improves significantly the propylene photo-oxidation under visible light illumination through the two spin channels photo-absorption and one spin channel recombination congestion. The presence of SETOV can make strongly localized Fe 3d states within the band gap get more delocalized, which not only increases the carrier mobility but also has an effect on restraining carrier recombination, thus resulting in the remarkably improved photocatalytic activity. Here the proposed photocatalytic process referring to spin-flip effect might afford a way for us about how to design a material owning the expected photoactivity in terms of spin selection rules about interband transition, opening the way to ground breaking applications in energy conversion.

Publication Date


  • 2018

Citation


  • Li, H., Ren, F., Li, Q., Yang, J., Wang, Y., & Cheng, Z. (2018). Spin-flip effect enhanced photocatalytic activity in Fe and single-electron-trapped oxygen vacancy co-doped TiO 2. Applied Surface Science, 457, 633-643. doi:10.1016/j.apsusc.2018.06.201

Scopus Eid


  • 2-s2.0-85049424362

Start Page


  • 633

End Page


  • 643

Volume


  • 457