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Thesis

Probing Mn-Mn and Mn-Si bonding in silicon cages

Abstract:

This thesis explores the geometry and electronic structure of some manganese doped silicon clusters. Experimental characterisation of these clusters is severely limited. Theoretical investigations with density functional theory (DFT) yield conflicting results due to differences in the choice of functional. Hence, a combination of both theory and experiment has been employed: our experimental collaborators have measured the IR-MPD spectra of these clusters while we have used DFT calculations t...

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Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Research group:
Prof. John McGrady's group
Oxford college:
St Hugh's College
Role:
Author
ORCID:
0000-0002-6595-170X

Contributors

Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Oxford college:
New College
Role:
Supervisor
ORCID:
0000-0002-8991-1921
Type of award:
MSc by Research
Level of award:
Masters
Awarding institution:
University of Oxford

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