Dr Claire Hobday
UKRI Future Leaders Fellow and University of Edinburgh Chancellor’s Fellow
Contact details
- Tel: 0131 650 4783
- Email: Claire.Hobday@ed.ac.uk
- Web: Hobday Group Website
Address
- Street
-
Room 287
University of Edinburgh
Joseph Black Building
David Brewster Road
Edinburgh
EH9 3FJ - City
- Post code
Research summary
Structure-property relationships, materials chemistry, high-pressure crystallography, computational chemistry.
Research Overview
The Hobday group is interested in finding new greener materials via a data driven approach for energy and heat applications.
We do this by means of a broad range of physical and computational techniques.
High-pressure crystallography: This technique allows us to probe the response of a material to an external force. We can understand the strength of molecular interactions, mechanical properties and see new phases of materials.
Computational chemistry: We use the full scale of computational techniques available to us: from molecular mechanics to higher levels of theory such as density functional theory. This allows us to tackle specific challenges of materials chemistry.
- “Structural flexibility in crystalline coordination polymers: a journey along the underlying free energy landscape” Hobday, C. L.; Kieslich, G; Dalton Trans., 2021, 50, 3759. DOI: 10.1039/D0DT04329J
- “Role of particle size and surface functionalisation on the flexibility behaviour of switchable metal–organic framework DUT-8(Ni)”Thompson, M. J.; Hobday, C. L.; Senkovska, I.; Bon, V.; Ehrling, S.; Maliuta, M.; Kaskel, S.; Düren, T.; J. Mater. Chem. A, 2020, 8, 22703. DOI: 10.1039/D0TA07775E
- "Tuning the Swing Effect by Chemical Functionalisation of Zeolitic Imidazolate Frameworks" Hobday, C. L.; Bennett, T. D.; Fairen-Jimenez, D.; Graham, A. J.; Allan, D. R.; Düren, T.; Morrison, C. A.; Moggach, S. A.; J. Am. Chem. Soc., 2018, 140, 1, 382. DOI:10.1021/jacs.7b10897
- "Understanding the adsorption process of small molecules in ZIF-8 using high pressure crystallography and computational modelling"Hobday, C. L.; Woodall, C.; Frost, M.; Kamenev, K.; Düren, T.; Morrison, C. A.; Moggach, S. A.; Nat. Commun. 2018, 9, 1429. DOI:10.1038/s41467-018-03878-6
- “A computational and experimental approach linking disorder, high-pressure behavior, and mechanical properties in UiO frameworks”Hobday, C. L.; Marshall, R. J.; Murphie, C. F.; Sotelo, J.; Richards, T.; Allan, D. R.; Düren, T.; Coudert, F.-X.; Forgan, R. S.; Morrison, C. A.; Moggach, S. A.; Bennett, T. D., Angew. Chem. Int. Ed. 2016, 55, 7, 2401. DOI:10.1002/anie.201509352