Determination of conduction and valence band electronic structure of anatase and rutile TiO2

Journal of Chemical Sciences

Jacinto Sá 1²  Katarzyna Michalow-Mauke2¹  Maarten Nachtegaal²  Jakub Szlachetko1 2² 

[1] Institute of Physics, Jan Kochanowski Unviversity, 25-406 Kielce, Poland$$;Paul Scherrer Institute (PSI), 5232 Villigen, Switzerland$$

关键词: Photo-catalysis;    high-resolution RIXS;    electronic structure.;   

DOI  :  

来源: Indian Academy of Sciences

【 摘 要 】

Electronic structures of rutile and anatase polymorph of TiO2 were determined by resonant inelastic X-ray scattering measurements and FEFF9.0 calculations. Difference between crystalline structures led to shifts in the rutile Ti 𝑑-band to lower energy with respect to anatase, i.e., decrease in band gap. Anatase possesses localized states located in the band gap where electrons can be trapped, which are almost absent in the rutile structure. This could well explain the reported longer lifetimes in anatase. It was revealed that HR-XAS is insufficient to study in-depth unoccupied states of investigated materials because it overlooks the shallow traps.

【 授权许可】

Unknown