Crystal structure prediction of organic semiconductors
This thesis presents the use of crystal structure prediction (CSP) in the evaluation and design of novel organic semiconductors. Heteroatom substitution into common organic semiconductors (pentacene in this thesis) oers a way of modulating their crystal packing and electronic properties. Initially C...
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University of Southampton
2017
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| Online Access: | https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.722954 |