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Publikācija: Quantum Chemical Simulations of Doped TiO2 Nanotubes for Photocatalytic Hydrogen Generation

Publication Type Conference paper
Funding for basic activity Unknown
Defending: ,
Publication language English (en)
Title in original language Quantum Chemical Simulations of Doped TiO2 Nanotubes for Photocatalytic Hydrogen Generation
Field of research 2. Engineering and technology
Sub-field of research 2.5 Materials engineering
Authors Oļegs Lisovskis
Sergejs Piskunovs
Jurijs Žukovskis
Jurijs Ozoliņš
Keywords Doped TiO2, nanotubes, photocatalytic hydrogen
Abstract 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.
Hyperlink: http://www.fmnt.lu.lv/fileadmin/user_upload/lu_portal/projekti/konference_fmnt/2012/FM_NT2012_FINAL_for_internet_2.pdf 
Reference 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.
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