Band-hopping mobility transition in naphthalene and deuterated naphthalene

Schein, L. B.; McGhie, A. R.

doi:10.1103/physrevb.20.1631

Cited by 184 publications

(92 citation statements)

References 38 publications

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“…Furthermore, while analysis of the mobilities extrapolated to zero field strength using an Arrhenius expression yielded values of the mobility at zero field strength and infinite temperature that were two to three orders of magnitude larger than those obtained for single crystals, [55,561 values of the same order of magnitude or smaller than those obtained for single crystals were found when Equation 20 was used. Upon increasing the applied field the apparent activation energy decreases according to Equation 22.…”

Section: Advanced Materialsmentioning

confidence: 95%

Disorder in Charge Transport in doped polymers

et al. 1994

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Charge transport in molecular doped polymers has important applications in xerography, as well as being a theoretical challenge. Its investigation by determination of transient photocurrents is reviewed, with experiments and pertinent theories, such as hopping in a Gaussian density of states and the small polaron model, being outlined. The temporal features of the photocurrents, the field and temperature dependence of the charge carrier mobilities, and the influence of molecular properties—and what can be inferred from these—are discussed.

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Section: Advanced Materialsmentioning

confidence: 95%

Disorder in Charge Transport in doped polymers

et al. 1994

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“…It appears, perhaps most extensively, in the area of solid state physics [5,6,7,8], where a great deal of theoretical work has focused on the nature of electron-phonon interactions, and the rich variety of behavior that occurs: from the simple scattering of particles by phonons [5], to the emergence of polarons in which the itinerant particle is clothed by a local distortion of the medium [6,7,8], and even to self-trapped polaron states, in which the particle is bound to the potential well created by such a localized vibrational distortion. Such theoretical issues have also had a rich interplay with experiment, with experimental observations suggesting theoretically predicted bandto-hopping and adiabatic-nonadiabatic polaron transitions of injected charges carriers in organic molecular solids [9].…”

Section: Introductionmentioning

confidence: 99%

Adiabatic-nonadiabatic transition in the diffusive Hamiltonian dynamics of a classical Holstein polaron

2006

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We study the Hamiltonian dynamics of a free particle injected onto a chain containing a periodic array of harmonic oscillators in thermal equilibrium. The particle interacts locally with each oscillator, with an interaction that is linear in the oscillator coordinate and independent of the particle's position when it is within a finite interaction range. At long times the particle exhibits diffusive motion, with an ensemble averaged mean-squared displacement that is linear in time. The diffusion constant at high temperatures follows a power law D ∼ T 5/2 for all parameter values studied. At low temperatures particle motion changes to a hopping process in which the particle is bound for considerable periods of time to a single oscillator before it is able to escape and explore the rest of the chain. A different power law, D ∼ T 3/4 , emerges in this limit. A thermal distribution of particles exhibits thermally activated diffusion at low temperatures as a result of classically self-trapped polaronic states.

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“…This approach has been widely applied for organic molecules and gives better results at the DFT level. [40,41] The drift mobility of charge carriers can be given by the Einstein equation as following: [42] B e D k T μ＝ (6) where e is the electronic charge, D is the diffusion coefficient, which can be evaluated from the hopping rates as 2 1 2…”

Section: Theoretical and Computational Methodsmentioning

confidence: 99%

Theoretical Study of Electronic Structures and Charge Transport Properties of 9,10‐Bis((E)‐2‐(pyrid‐n‐yl) vinyl) (n=2,3,4) Anthracene

et al. 2015

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Charge carrier mobility is one of the most significant properties for organic semiconductors. In this work, the electronic structures and charge transport properties of 9,10-bis((E)-2-(pyrid-n-yl)vinyl) (n＝2, 3, 4) anthracene (BP2VA, BP3VA and BP4VA) were investigated via the analysis of the molecular geometry, the reorganization energy, the frontier orbital and density of state, as well as the electronic coupling and the charge mobility. The results indicated that the linkage between 9,10-divinyl anthracene unit and pyridine (ortho-, meta-and para-) influenced not only the intra-molecular conformation (i.e., the reorganization energies), but also the intermolecular interaction (i.e., transfer integrals), and finally the charge mobility of the molecules. It is also found that: (1) The calculated charge mobilties of holes are dozens of times higher than those of electrons for the three molecules. (2) The charge mobilities of hole and electron of the three molecules display the trend: μ BP4VA ＞μ BP2VA ＞μ BP3VA , and the hole mobility of BP4VA is as high as ~1 cm 2 /(V•s).

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Band-hopping mobility transition in naphthalene and deuterated naphthalene

Cited by 184 publications

References 38 publications

Disorder in Charge Transport in doped polymers

Disorder in Charge Transport in doped polymers

Adiabatic-nonadiabatic transition in the diffusive Hamiltonian dynamics of a classical Holstein polaron

Theoretical Study of Electronic Structures and Charge Transport Properties of 9,10‐Bis((E)‐2‐(pyrid‐n‐yl) vinyl) (n=2,3,4) Anthracene

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