Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 117, Issue 27, Pages 13845-13852Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp402971b
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Funding
- Swedish Research Council (VR)
- Swedish Energy Agency
- Stiffelsen J. Gust Richerts Minne (SWECO)
- Council of Scientific Indian Research (CSIR), New Delhi
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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.
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