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New insight into effects of 4d transition metals doping on the photocatalytic activities of anatase TiO2(101) surface
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  • Yuehong Ren,
  • Qingzhen Han,
  • Qiaozhi Su,
  • Jie Yang,
  • Yuehong Zhao,
  • Hao Wen,
  • Zhaotan Jiang
Yuehong Ren
Beijing Institute of Technology
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Qingzhen Han
Beijing Academy of Quantum Information Sciences
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Qiaozhi Su
Beijing Institute of Technology
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Jie Yang
Shandong Graphenjoy Advanced Material CO. LTD
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Yuehong Zhao
Institute of Process Engineering Chinese Academy of Sciences
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Hao Wen
Institute of Process Engineering Chinese Academy of Sciences
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Zhaotan Jiang
Beijing Institute of Technology
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Abstract

Aiming at improving the visible-light photocatalytic activities of TiO2(101) surface (TiOS) we make an in-dept study on the TiOS doped with 4d transition metal (TM) atoms. It is shown that the 4d TM dopings can not only produce new impurity energy bands in the bandgap but also result in the semiconductor-metal phase transition. Consequently, the visible-light absorption is strongly strengthened due to the dopings of Y, Zr, Nb, Mo, and Ag, while it is only weakly improved for Tc, Ru, Rh, Pd, and Cd dopings. The improvement in visible-light absorption can be attributed to the intraband or interband transition of electrons. Moreover, the photocatalytic activities are explored, and we find Y and Ag dopings can effectively enhance the photocatalytic activity of TiOS. Thus the mechanism of improving photocatalytic activity of TiOS has been clearly addressed, which is beneficial to further experimental and theoretical researches on TiO2 photocatalysts.

Peer review status:ACCEPTED

17 Dec 2020Submitted to International Journal of Quantum Chemistry
18 Dec 2020Submission Checks Completed
18 Dec 2020Assigned to Editor
23 Dec 2020Reviewer(s) Assigned
09 Feb 2021Review(s) Completed, Editorial Evaluation Pending
11 Feb 2021Editorial Decision: Revise Major
16 Mar 20211st Revision Received
19 Mar 2021Submission Checks Completed
19 Mar 2021Assigned to Editor
19 Mar 2021Reviewer(s) Assigned
08 Apr 2021Review(s) Completed, Editorial Evaluation Pending
08 Apr 2021Editorial Decision: Accept