• Laser & Optoelectronics Progress
  • Vol. 55, Issue 6, 061603 (2018)
Yongqian Tan1; and Fanju Zeng1; 2*; *;
Author Affiliations
  • School of Big Data Engineering, Kaili University, Kaili, Guizhou 556011, China
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    DOI: 10.3788/LOP55.061603 Cite this Article Set citation alerts
    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 Copy Citation Text show less
    Structural model of La-Ce co-doped anatase TiO2
    Fig. 1. Structural model of La-Ce co-doped anatase TiO2
    Differential charge density of TiO2 (100). (a) Undoped TiO2; (b) La-Ce co-doped TiO2
    Fig. 2. Differential charge density of TiO2 (100). (a) Undoped TiO2; (b) La-Ce co-doped TiO2
    Band structure. (a) Undoped TiO2; (b) La doped TiO2; (c) Ce doped TiO2; (d) 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
    Density of states. (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
    Absorption spectrum of TiO2
    Fig. 5. Absorption spectrum of TiO2
    StructuremodelLattice constant /nmBond length /nmΔV /nm-3ChargeEf /eV
    abcTi-OLa-OCe-OTiOLaCe
    Pure TiO20.75980.75980.97100.200401.33e-0.67e0
    La dopedTiO20.76030.76031.02500.20030.24130.031931.23e-0.66e2.85e5.0
    Ce dopedTiO20.76500.76500.99100.20150.22440.019531.30e-0.66e1.80e4.4
    La-Ceco-doped TiO20.75390.71821.06080.31400.24010.23090.056721.205e-0.66e2.72e1.52e9.4
    Table 1. Optimized parameters of each structural model
    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
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