Experimental and molecular dynamics study of the growth of crystalline TiO2

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23520%2F12%3A43915969" target="_blank" >RIV/49777513:23520/12:43915969 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1063/1.4757010" target="_blank" >http://dx.doi.org/10.1063/1.4757010</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1063/1.4757010" target="_blank" >10.1063/1.4757010</a>

Result language
angličtina
Original language name
Experimental and molecular dynamics study of the growth of crystalline TiO2
Original language description
Thin films of crystalline TiO2 are of high interest due to their photoactivity and photoinduced hydrophilicity. Previously, preparation of TiO2 has been described in terms of extrinsic process parameters, such as total pressure, oxygen partial pressure or substrate bias potential. We study the growth of TiO2 phases, rutile and anatase, by atom-by-atom molecular dynamics simulations. We focus on the effect of intrinsic process parameters including particle energy, growth temperature and growth template.While experiments indicate that the deposition of rutile requires higher temperatures and/or energies compared to anatase, we show that the growth of previously nucleated rutile can take place in a wider range of temperatures and energies compared to anatase. The results facilitate defining new synthesis pathways for TiO2, and constitute phenomena which may be relevant for other ceramics.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BL - Plasma physics and discharge through gases
OECD FORD branch
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Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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