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Updated: Feb 9, 2026

Patterning Cells on Optically Transparent Indium Tin Oxide Electrodes
Published on: August 20, 2007
Analysis of Indium Oxidation State on the Electronic Structure and Optical Properties of TiO₂
Matiullah Khan1,2,3, Zhenghua Lan4, Yi Zeng5
1State Key Lab of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China. matiullahustb@gmail.com.
Abstract:
Due to the high formation energy of Indium interstitial defect in the TiO₂ lattice, the most probable location for Indium dopant is substitutional sites. Replacing Ti by In atom in the anatase TiO₂ shifted the absorption edge of TiO₂ towards visible regime. Indium doping tuned the band structure of TiO₂ via creating In 5p states. The In 5p states are successfully coupled with the O 2p states reducing the band gap. Increasing In doping level in TiO₂ improved the visible light absorption. Compensating the charge imbalance by oxygen vacancy provided compensated Indium doped TiO₂ model. The creation of oxygen vacancy widened the band gap, blue shifted the absorption edge of TiO₂ and declined the UV light absorption. The 2.08% In in TiO₂ is the optimal Indium doping concentration, providing suitable band structure for the photoelectrochemical applications and stable geometrical configuration among the simulated models. Our results provide a reasonable explanation for the improved photoactivity of Indium doped TiO₂.
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