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• W2111123863 startingPage "1620" @default.
• W2111123863 abstract "The size below which anatase nanoparticles become more stable than rutile nanoparticles (crossover diameter) is dependent on the environment of the nanoparticles. It is smaller for nanoparticles in vacuum than those in water and continues to decrease with increase in temperature. Phase transformation between anatase and rutile phases is facilitated by enhanced ionic mobility at temperatures near the melting point of the nanoparticles. Multiparticle multiphase molecular dynamics simulations of TiO2 nanoparticles undergoing sintering-induced phase transformations are reported here. Over the time scales accessible to molecular dynamics simulations, we found that the final sintering agglomerate transformed to the rutile phase, provided one of the sintering nanoparticles was rutile, while sintering of anatase and amorphous nanoparticles resulted in a brookite agglomerate. No such phase transformations were observed at temperatures away from nanoparticle’s melting temperatures." @default.
• W2111123863 created "2016-06-24" @default.
• W2111123863 creator A5049584797 @default.
• W2111123863 creator A5068100015 @default.
• W2111123863 date "2008-07-24" @default.
• W2111123863 modified "2023-10-18" @default.
• W2111123863 title "Phase Transformations during Sintering of Titania Nanoparticles" @default.
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• W2111123863 doi "https://doi.org/10.1021/nn800092m" @default.
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• W2111123863 hasPublicationYear "2008" @default.
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