Title
Study of the nucleation and growth of <tex>$TiO_{2}$</tex> and ZnO thin films by means of molecular dynamics simulations Study of the nucleation and growth of <tex>$TiO_{2}$</tex> and ZnO thin films by means of molecular dynamics simulations
Author
Faculty/Department
Faculty of Sciences. Chemistry
Publication type
article
Publication
Amsterdam ,
Subject
Chemistry
Source (journal)
Journal of crystal growth. - Amsterdam
Volume/pages
311(2009) :16 , p. 4034-4043
ISSN
0022-0248
ISI
000269580100012
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
The nucleation and growth of titanium dioxide (TiO2) and zinc oxide (ZnO) thin films on Fe2O3 (hematite), Al2O3 (á-alumina) and SiO2 (á-quartz) are studied by molecular dynamics simulations. The results show the formation of a strong interface region between the substrate and the film in the six systems studied here. A combination of polycrystalline and amorphous phases are observed in the TiO2 films grown on the three substrates. ZnO deposition on the Fe2O3 and Al2O3 crystals yields a monocrystalline film growth. The ZnO film deposited on the SiO2 crystal exhibits less crystallinity. The simulation results are compared with experimental results available in the literature.
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