Monte Carlo simulation based on dynamic disorder model in organic semiconductors: From bandlike to hopping transport
作者： Yao Yao , Wei Si , Xiaoyuan Hou , Chang-Qin Wu
DOI: 10.1063/1.4729310
关键词: Quantum decoherence 、 Diffusion (business) 、 Pentacene 、 Charge carrier 、 Materials science 、 Monte Carlo method 、 Work (thermodynamics) 、 Statistical physics 、 Condensed matter physics 、 Organic semiconductor 、 Delocalized electron
摘要: The dynamic disorder model for charge carrier transport in organic semiconductors has been extensively studied recent years. Although it is successful on determining the value of bandlike mobility crystalline materials, incoherent hopping, typical characteristic semiconductors, cannot be described. In this work, decoherence process taken into account via a phenomenological parameter, say time, and projective Monte Carlo method applied to determine waiting time thus diffusion coefficient. We find type changes from hopping with sufficiently short which indicates essential role organics. have also discussed spatial extent carriers different transition delocalization (carrier resides about 10 molecules) localization observed. Based experimental results extent, we estimate pentacene order 1ps. Furthermore, dependence coefficient investigated, corresponding experiments are discussed.
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