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Cubic TiO2 as a pot...
Cubic TiO2 as a potential light absorber in solar-energy conversion
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Mattesini, M. (författare)
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de Almeida, J. S. (författare)
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Dubrovinsky, L. (författare)
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Dubrovinskaia, N. (författare)
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- Johansson, Börje (författare)
- KTH,Materialvetenskap
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Ahuja, R. (författare)
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(creator_code:org_t)
- 2004
- 2004
- Engelska.
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 70:11
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Materialteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering (hsv//eng)
Nyckelord
- doped titanium-dioxide
- high-pressure
- optical-properties
- phase-transitions
- water
- rutile
- gpa
- spectroscopy
- spectra
- anatase
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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