2017
DOI: 10.1103/physrevlett.118.086601
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How Many Parameters Actually Affect the Mobility of Conjugated Polymers?

Abstract: We describe charge transport along a polymer chain with a generic theoretical model depending in principle on tens of parameters, reflecting the chemistry of the material. The charge carrier states are obtained from a model Hamiltonian that incorporates different types of disorder and electronic structure (e.g. the difference between homoand co-polymer). The hopping rate between these states is described with a general rate expression, which contains the rates most used in the literature as special cases. We d… Show more

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Cited by 48 publications
(59 citation statements)
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References 26 publications
(35 reference statements)
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“…80 ). Approaches based on model Hamiltonians have also provided powerful insight into the key processes and factors that govern charge transport in high-mobility polymer systems, such as how dynamic disorder mediates the hopping between states defined by static disorder 82 , the influence of bandwidth in D-A copolymers on carrier mobility 83 and the identification of the most important parameters governing mobilities 84 . A particularly important insight has been the realization of the significance of delocalized states that Figure repoduced with permission from ref.…”
Section: Charge Transport In Low-disorder Conjugated Polymersmentioning
confidence: 99%
“…80 ). Approaches based on model Hamiltonians have also provided powerful insight into the key processes and factors that govern charge transport in high-mobility polymer systems, such as how dynamic disorder mediates the hopping between states defined by static disorder 82 , the influence of bandwidth in D-A copolymers on carrier mobility 83 and the identification of the most important parameters governing mobilities 84 . A particularly important insight has been the realization of the significance of delocalized states that Figure repoduced with permission from ref.…”
Section: Charge Transport In Low-disorder Conjugated Polymersmentioning
confidence: 99%
“…In identifying the difficulty of predicting the interaction between dopants and OSCs, we point out that modeling this system at the molecular scale requires both electronic (usually, density functional theory (DFT)) and structural (usually, molecular dynamics) components and that development of multiscale models combining these levels of theory is at the leading edge of theoretical capabilities . We encourage more research in this area.…”
Section: Fabrication and Morphologymentioning
confidence: 99%
“…where q is the electric charge, N the carrier concentration and μ the charge carrier mobility. The carrier concentration is related to the filling (doping) and shape of the density of states (DoS) of the material [9 12], while the charge carrier mobility is linked to the shape of the DoS for conducting poly mers for which the dominant charge transport mechanism is hopping [12,13]. On the other hand, following Mott's formalism, the Seebeck coefficient is related to conductivity through Equation (2) and, there fore, S is also dependent on the DoS slope at the Fermi level, E f ; a steeper slope leading to a higher Seebeck coefficient [14,15].…”
Section: Introductionmentioning
confidence: 99%