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Theoretical investigation of size and shape effects on the melting temperature and energy bandgap of nanostructures
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10.1063/1.2897297
/content/aip/journal/apl/92/10/10.1063/1.2897297
http://aip.metastore.ingenta.com/content/aip/journal/apl/92/10/10.1063/1.2897297

Figures

Image of FIG. 1.
FIG. 1.

Melting temperature vs the reciprocal size for (a) spherical and cubic nanoparticles, (b) cylindrical and parallelepipedic nanowires with a length of , and (c) cylindrical nanotubes with a length of and a ratio of the outer to inner diameter equals 1.6. The solid, dashed, and dotted lines represent the rutile, anatase, and brookite phases, respectively. The thick black lines represent the nanostructures with a circular section, and the thin red lines represent the nanostructures with a square section.

Image of FIG. 2.
FIG. 2.

Bandgap vs the size for (a) spherical and cubic nanoparticles, (b) cylindrical and parallelepipedic nanowires with a length of , and (c) cylindrical nanotubes with a length of and a ratio of the outer to inner diameter equals 1.6. The solid, dashed, and dotted lines represent the rutile, anatase, and brookite phases, respectively. The thick black lines represent the nanostructures with a circular section, and the thin red lines represent the nanostructures with a square section.

Tables

Generic image for table
Table I.

Bulk material properties of different phases of (Refs. 21, 22, and 30–32).

Generic image for table
Table II.

parameters for different shapes of nanostructures.

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/content/aip/journal/apl/92/10/10.1063/1.2897297
2008-03-13
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Theoretical investigation of size and shape effects on the melting temperature and energy bandgap of TiO2 nanostructures
http://aip.metastore.ingenta.com/content/aip/journal/apl/92/10/10.1063/1.2897297
10.1063/1.2897297
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