Computational Study on Polarisation Behaviour of Functionalised Endohedral Metallofullerenes

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Computational Study on Polarisation Behaviour of Functionalised Endohedral Metallofullerenes

This work focused on investigating the potential for selected functionalised endohedral metallofullerene isomers to be viable candidates for a molecular polarisation switch, with a particular focus on the Ca@C60 system. This work combines classical electrostatic analysis and Density Functional Theor...

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Bibliographic Details
Main Author:	Halstead, M. J.
Format:	Thesis (University of Nottingham only)
Language:	English
Published:	2023
Subjects:	metallofullerenes molecular electronics
Online Access:	https://eprints.nottingham.ac.uk/74167/

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