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The mobility in disordered molecular systems with energies given by a charge-induced dipoles interaction
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10.1063/1.3512633
/content/aip/journal/jcp/133/21/10.1063/1.3512633
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/21/10.1063/1.3512633
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

A two-dimensional representation of the site distribution used in this work. The sites are at the sphere centers. The sphere diameter and the density of spheres are the only two parameters that determine the site distribution.

Image of FIG. 2.
FIG. 2.

DOS, in units of , for a distribution of hard spheres of diameter d and density ρ, , with site energies given by charge-induced dipoles interaction, the solid line is a Gaussian fit. The inset shows the energetic correlation divided by the energetic variance as a function of the average intersite separation . The smallest distance between sites is d = 0.928a. Adapted from [J. Freire and C. Tonezer, J. Chem. Phys. 128, 134901, 2009]. [© 2010, American Institute of Physics.]

Image of FIG. 3.
FIG. 3.

Semilog plot of the mobility vs square root of the dimensionless field, eEa/σ, for inverse of the effective Bohr radius λ = 7/a and different values of . From top to bottom . The lines are linear fits and identify the Poole–Frenkel dependence. The inset shows the dimensionless Poole–Frenkel parameter γ, , against .

Image of FIG. 4.
FIG. 4.

Semilog plot of the mobility vs square root of the dimensionless field, Δ = eEa/σ, for a reference system (solid symbol) with positional disorder and energetic disorder due to the resulting distribution of polarization energies; and a test system (open symbol) with a site distribution identical to the reference system, but with site energies distributed following the Gaussian distribution of polarization energies of the reference system but lacking its intrinsic short-ranged correlation. The inset shows the logarithmic derivative of the two mobilities, the solid (dashed) line corresponds to the reference (test) system. The PF dependence appears as a plateau and is evident only in the reference system.

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/content/aip/journal/jcp/133/21/10.1063/1.3512633
2010-12-07
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The mobility in disordered molecular systems with energies given by a charge-induced dipoles interaction
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/21/10.1063/1.3512633
10.1063/1.3512633
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