Quantum Chemical Simulations of Doped TiO2 Nanotubes for Photocatalytic Hydrogen Generation

International Conference "Functional Materials and Nantechnologies 2012" (FM&NT-2012): Book of Abstracts 2012
Oļegs Lisovskis, Sergejs Piskunovs, Jurijs Žukovskis, Jurijs Ozoliņš

Since the experimental synthesis and characterization of nanostructured materials is quite complicated and expensive procedure, in order to perform realiable band gap engineering of doped and co-doped TiO2 nanotubes we propose relatively cheap, but efficient large-scale ab initio calculations on the electronic structure.

Keywords
Doped TiO2, nanotubes, photocatalytic hydrogen
Hyperlink
http://www.fmnt.lu.lv/fileadmin/user_upload/lu_portal/projekti/konference_fmnt/2012/FM_NT2012_FINAL_for_internet_2.pdf

Lisovskis, O., Piskunovs, S., Žukovskis, J., Ozoliņš, J. Quantum Chemical Simulations of Doped TiO2 Nanotubes for Photocatalytic Hydrogen Generation. In: International Conference "Functional Materials and Nantechnologies 2012" (FM&NT-2012): Book of Abstracts, Latvia, Rīga, 17-20 April, 2012. Riga: Institute of Solid State Physics. University of Latvia, 2012, pp.275-275. ISBN 978-9984-45-496-2.

Publication language
English (en)