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Thesis

Computer Simulations of Li–N–H Systems

Abstract:

The Li–N–H system (lithium compounds with nitrogen and/or hydrogen based anions) is a promising family of materials for chemical energy storage applications; the development of efficient energy storage materials is one of the key challenges for global renewable energy utilisation. The Li–N–H system is of importance for both hydrogen storage and in facilitating the storage of energy as ammonia. Lithium hydride and lithium imide, two materials in this family, were investigated in this thesis...

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Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Role:
Author

Contributors

Role:
Supervisor
ORCID:
0000-0003-1913-3682
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Name:
Science and Technology Facilities Council
Funder identifier:
http://dx.doi.org/10.13039/501100000271
Funding agency for:
Marks, PL
Type of award:
DPhil
Level of award:
Doctoral
Awarding institution:
University of Oxford
Language:
English
Subjects:
Deposit date:
2021-07-12

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