About: Experimental and molecular dynamics study of the growth of crystalline TiO2

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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. 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. (en)
Title	Experimental and molecular dynamics study of the growth of crystalline TiO2 Experimental and molecular dynamics study of the growth of crystalline TiO2 (en)
skos:prefLabel	Experimental and molecular dynamics study of the growth of crystalline TiO2 Experimental and molecular dynamics study of the growth of crystalline TiO2 (en)
skos:notation	RIV/49777513:23520/12:43915969!RIV13-MSM-23520___
http://linked.open...avai/riv/aktivita	I
http://linked.open...avai/riv/aktivity	I
http://linked.open...iv/cisloPeriodika	7
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Houška, Jiří
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Západočeská univerzita v Plzni / Fakulta aplikovaných věd
http://linked.open...dnocenehoVysledku	135522
http://linked.open...ai/riv/idVysledku	RIV/49777513:23520/12:43915969
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Magnetron sputteirng; Molecular dynamics; Crystal growth; TiO2 (en)
http://linked.open.../riv/klicoveSlovo	Molecular dynamics Crystal growth TiO2 Magnetron sputteirng
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[6AE7918CB7BC]
http://linked.open...i/riv/nazevZdroje	Journal of Applied Physics
http://linked.open...in/vavai/riv/obor	BL
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	112
http://linked.open...iv/tvurceVysledku	Houška, Jiří Mráz, Stanislav Schneider, Jochen
issn	0021-8979
number of pages	10 (xsd:int)
http://bibframe.org/vocab/doi	10.1063/1.4757010
http://localhost/t...ganizacniJednotka	23520

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