Cubic TiO2 as a potential light absorber in solar-energy conversion
2004 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 70, no 11Article in journal (Refereed) Published
Materials are currently sought for use in the photo-induced decomposition of water on crystalline electrodes. Titanium dioxide is valuable in this respect. The electronic structural properties of cubic TiO2 polymorphs were investigated by means of first-principles methods. We demonstrate that both fluorite- and pyrite-type TiO2 have important optical absorptive transitions in the region of the visible light. A cubic TiO2 phase that can efficiently absorb the sunlight would be an important candidate material for the development of the solar cells. Also, we present results on the Ti L edges for the two different titania forms. We predict that a qualitative spectroscopic discrimination of the cubic polymorphs can be achieved by following the Ti 2p → 3d x-ray transitions.
Place, publisher, year, edition, pages
2004. Vol. 70, no 11
doped titanium-dioxide, high-pressure, optical-properties, phase-transitions, water, rutile, gpa, spectroscopy, spectra, anatase
IdentifiersURN: urn:nbn:se:kth:diva-23775DOI: 10.1103/PhysRevB.70.115101ISI: 000224209500021ScopusID: 2-s2.0-13744262718OAI: oai:DiVA.org:kth-23775DiVA: diva2:342474
QC 20100525 QC 201109232010-08-102010-08-102011-09-23Bibliographically approved