期刊
JOURNAL OF PHYSICAL CHEMISTRY B
卷 109, 期 39, 页码 18267-18274出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp053017i
关键词
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We have studied the mobility of charge carriers along self-organizing pi-stacks of hydrogen-bonded phenylene vinylene oligomers in solution, by time-resolved microwave conductivity measurements. The value deduced for the mobility along the stacks is 3 x 10(-3) and 9 X 10(-3) cm(2)/(V s) for holes and electrons, respectively. Additionally, we have calculated the mobility along the,pi-stacks using a hopping model based on parameters from density functional theory. The mobility values obtained from these calculations are in good agreement with the experimental values if it is assumed that there are relatively large twist angles between neighboring molecules in the stack. It is shown that a significantly higher mobility can be attained if the twist angle between neighboring oligomers is reduced.
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