Band gap tailoring of Nd3+-doped TiO2 nanoparticles
作者： W. Li , Y. Wang , H. Lin , S. Ismat Shah , C. P. Huang
DOI: 10.1063/1.1627962
关键词:
摘要: Undoped and Nd3+-doped TiO2 nanoparticles were synthesized by chemical vapor deposition in order to tailor the band gap of TiO2. The doping reduced gap. was measured ultraviolet-visible light absorption experiments near-edge x-ray fine structure. maximum reduction 0.55 eV for 1.5 at. % Nd-doped nanoparticles. Density functional theory calculations using generalized gradient approximation with linearized augmented plane wave method used interpret narrowing. narrowing primarily attributed substitutional Nd3+ ions which introduced electron states into form new lowest unoccupied molecular orbital.
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