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• W1973729689 abstract "Based on the first-principles plane wave ultra-soft pseudo potential (USP) method of density function theory pure N and Ce doped and Ce – N codoping anatase TiO 2 supercell models were established, respectively, and calculated their energy in this paper. The calculated results show that the three doping systems compared to the pure anatase TiO 2 band gap narrowed which results in red-shift of the optical absorption edges and Ce – N codoped anatase TiO 2 have the most obvious visible effect. Meanwhile, synergy is very effective for the separation of electron–hole pairs and the electrons have a better lifespan. Research found that the trend of the donor's movements at the shallow level of Ce – N codoped anatase TiO 2 is not obvious. This is due to its very thick shell, resulting in shielding effect of the outer layer of the Ce -4f." @default.
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• W1973729689 date "2014-02-06" @default.
• W1973729689 modified "2023-09-25" @default.
• W1973729689 title "THE EFFECT OF Ce–N CODOPING ON THE ELECTRONIC STRUCTURE AND OPTICAL PROPERTY OF ANATASE TiO2: A FIRST-PRINCIPLES STUDY" @default.
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• W1973729689 doi "https://doi.org/10.1142/s0217979214500453" @default.
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