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Anion-Anion Mediated Coupling in Layered Perovskite La2Ti2O7 for Visible Light Photocatalysis
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
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2013 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 117, no 27, 13845-13852 p.Article in journal (Refereed) Published
Abstract [en]

Anionic-anionic (N-N, P-P, N-P, and C-S) mediated coupling can be introduced in the layered perovskite La2Ti2O7 structure for visible light photocatalysis. The anionic-anionic codoped La2Ti2O7 systems lower the band gap much more than their respective monodoping systems. Moreover, the electronic band positions of the doped systems with respect to the water oxidation/reduction potentials show that codoped (N-N, N-P, and C-S) systems are more promising candidates for visible-light photocatalysis. The calculated defect formation energy shows that the codoped systems are more stable than their respective monodoped systems.

Place, publisher, year, edition, pages
2013. Vol. 117, no 27, 13845-13852 p.
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Natural Sciences
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URN: urn:nbn:se:uu:diva-207648DOI: 10.1021/jp402971bISI: 000321883600010OAI: oai:DiVA.org:uu-207648DiVA: diva2:649025
Available from: 2013-09-17 Created: 2013-09-17 Last updated: 2017-12-06Bibliographically approved

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Liu, PengNisar, JawadAhuja, Rajeev

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