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Specific Heat Capacity of TiO2 Nanoparticles | | M. Saeedian
; M. Mahjour-Shafiei
; E. Shojaee
; M. R. Mohammadizadeh
; | | Date: |
29 Jul 2013 | | Abstract: | We have calculated heat capacity of TiO2 nanoparticles in three stable
polymorphs by applying size and surface effects on heat capacity of the bulk
structure. The size and surface corrections were imposed on the acoustic and
optical bulk phonons, separately. The model used in the present work is a
simple modification of the model proposed by Wang et al. We applied the
modified model to obtain the specific heat capacity of 10-100 nm TiO2
nanoparticles. A very good consistency is observed between the computational
and experimental data. Based on the modified model, particles with sizes larger
than 70 nm behave like bulk structure. In addition, the heat capacity of
particles smaller than 15 nm become independent from their structure details
while demonstrating a drastic increase. | | Source: | arXiv, 1307.7555 | | Services: | Forum | Review | PDF | Favorites | |
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