Mohakud, Sasmita and Pati, Swapan K (2009) Large carrier mobilities in octathiocirculene crystals: a theoretical study. In: Journal Of Materials Chemistry, 19 (25). pp. 4356-4361.
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The electron and hole mobilities of octathiocirculene (sulflower) crystal have been calculated using quantum chemical methods, with accurate determination of reorganization energies and the rate of charge transfer, the key parameters controlling the charge carriers conductance. We find this molecular crystal to be an excellent conductor with large mobilities for both the charge carriers. Moreover, the hole mobility is found to be slightly larger than the electron mobility. Such an ambipolar organic crystal with substantial carrier mobilities shows possibilities of sophisticated device fabrication in advanced electronics.
|Item Type:||Journal Article|
|Additional Information:||Copyright of this article belongs to Royal Society of Chemistry.|
|Department/Centre:||Division of Physical & Mathematical Sciences > Centre for Theoretical Studies|
|Date Deposited:||27 Aug 2009 07:16|
|Last Modified:||19 Sep 2010 05:36|
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