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Thesis

Disorder and defects in functional molecular frameworks

Abstract:

This Thesis explores the role of structural defects and disorder and their relationship to experimental data, with a particular emphasis on molecular framework materials. The question of how we can build atomistic models of amorphous materials from experimental data without needing to make system-specific assumptions is addressed. The role of 'structural invariance', i.e. the limited range of distinct local atomic environments within a material, as a restraint within reverse Monte Carl...

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Research group:
Goodwin
Oxford college:
Merton College
Role:
Author

Contributors

Role:
Supervisor
Publication date:
2015
Type of award:
DPhil
Level of award:
Doctoral
Awarding institution:
University of Oxford

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