Laser & Optoelectronics Progress, Volume. 55, Issue 6, 061603(2018)
Effect of Lanthanum and Cerium Co-Doping on Electronic Structure and Optical Properties of Anatase Tianium Dioxide
Figures & Tables(6)
Fig. 2. Differential charge density of TiO2 (100). (a) Undoped TiO2; (b) La-Ce co-doped TiO2
Fig. 3. Band structure. (a) Undoped TiO2; (b) La doped TiO2; (c) Ce doped TiO2; (d) La-Ce co-doped TiO2
Fig. 4. Density of states. (a) Undoped TiO2; (b) La doped TiO2; (c) Ce doped TiO2; (d) La-Ce co-doped TiO2
Table 1. Optimized parameters of each structural model
View tableTable 1. Optimized parameters of each structural model
Structure model Lattice constant /nm Bond length /nm Δ V /nm-3 Charge E f /eV a b c Ti-O La-O Ce-O Ti O La Ce Pure TiO2 0.7598 0.7598 0.9710 0.2004 0 1.33 e -0.67 e 0 La doped TiO2 0.7603 0.7603 1.0250 0.2003 0.2413 0.03193 1.23 e -0.66 e 2.85 e 5.0 Ce doped TiO2 0.7650 0.7650 0.9910 0.2015 0.2244 0.01953 1.30 e -0.66 e 1.80 e 4.4 La-Ce co-doped TiO2 0.7539 0.7182 1.0608 0.3140 0.2401 0.2309 0.05672 1.205 e -0.66 e 2.72 e 1.52 e 9.4
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Yongqian Tan, Fanju Zeng. Effect of Lanthanum and Cerium Co-Doping on Electronic Structure and Optical Properties of Anatase Tianium Dioxide[J]. Laser & Optoelectronics Progress, 2018, 55(6): 061603
Paper Information
Category: Materials
Received: Oct. 10, 2017
Accepted: --
Published Online: Sep. 11, 2018
The Author Email: Zeng Fanju ( zfj1@163.com)
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