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Large carrier mobilities in octathio[8]circulene crystals: a theoretical study

Mohakud, Sasmita and Pati, Swapan K (2009) Large carrier mobilities in octathio[8]circulene crystals: a theoretical study. In: Journal Of Materials Chemistry, 19 (25). pp. 4356-4361.

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The electron and hole mobilities of octathio[8]circulene (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
Publication: Journal Of Materials Chemistry
Publisher: Royal Society of Chemistry
Additional Information: Copyright of this article belongs to Royal Society of Chemistry.
Department/Centre: Division of Physical & Mathematical Sciences > Centre for Theoretical Studies (Ceased to exist at the end of 2003)
Date Deposited: 27 Aug 2009 07:16
Last Modified: 19 Sep 2010 05:36
URI: http://eprints.iisc.ac.in/id/eprint/21118

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