Experimental and molecular dynamics study of the growth of crystalline TiO2

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Experimental and molecular dynamics study of the growth of crystalline TiO2

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Experimental and molecular dynamics study of the growth of crystalline TiO2

Popis výsledku anglicky

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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BL - Fyzika plasmatu a výboje v plynech

OECD FORD obor

—

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2012

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Applied Physics

ISSN

0021-8979

e-ISSN

—

Svazek periodika

112

Číslo periodika v rámci svazku

7

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

073527-1 - 073527-10

Kód UT WoS článku

—

EID výsledku v databázi Scopus

—