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Last updated 4th June 2026
Biography
I took up my current position in 2007. Prior to this I completed a PhD in Computational Solid State Chemistry with Prof SC Parker before undertaking postdoctoral research in Bath and in the Materials Science department in Cambridge, where I was part of a consortium modelling the interface of biological molecules with mineral surfaces.
In addition to teaching physical chemistry, I am actively involved in researching many aspects of solid state chemistry, particularly mineral surfaces, using computer modelling techniques as part of the Catalysis Research Centre in the Department of Chemical and Biological Sciences.
Research Expertise and Interests
- Computational Solid State Chemistry
- Bulk and Surface Defects
- Interfaces
- Crystal Growth
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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SDG 3 Good Health and Well-being -
SDG 7 Affordable and Clean Energy -
SDG 9 Industry, Innovation, and Infrastructure -
SDG 12 Responsible Consumption and Production -
SDG 13 Climate Action
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Collaborations and top research areas from the last five years
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Projects
- 1 Finished
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The Post-Disposal Behaviour of C-14 and Irradiated Graphite
Humphreys, P. (PI), Cooke, D. (CoI), Bond, G. (CoI), Heard, P. (CoI), Bligh Scott, T. (CoI) & Eccles, H. (CoI)
1/11/11 → 31/10/15
Project: Research
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Impact of small-molecule adsorbates on the morphology of PuO2 nanoparticles from first-principles modelling
Moxon, S., Flitcroft, J., Skelton, J. M., Gillie, L. J., Cooke, D. J., Parker, S. C. & Molinari, M., 20 Feb 2026, In: Journal of Physics Condensed Matter. 38, 7, 20 p., 075001.Research output: Contribution to journal › Article › peer-review
Open Access -
Infrared and Raman signatures of stoichiometric PuO2: A density functional theory study
Lines, N., Harker, R. M., Flitcroft, J. M., Cooke, D. J., Gillie, L. J., Storr, M. T., Skelton, J. M. & Molinari, M., 1 Sept 2026, In: Journal of Nuclear Materials. 631, 13 p., 156730.Research output: Contribution to journal › Article › peer-review
Open Access -
A computational high throughput search of symmetric tilt grain boundaries in cerium oxide
Vigorito, S., Statham, J. M., Tse, J. S., Symington, A. R., Underwood, T. L., Watson, G., Möbus, G., Parker, S. C., Gillie, L. J., Cooke, D. J. & Molinari, M., 1 May 2025, In: Acta Materialia. 289, 15 p., 120719.Research output: Contribution to journal › Article › peer-review
Open Access2 Link opens in a new tab Citations (Scopus) -
Effect of strain on the adsorption of carboxylic acids on the surfaces of cerium oxide
Munir, S., Neal, C. J., Gillie, L. J., Cooke, D. J., Seal, S. & Molinari, M., 1 Nov 2025, In: Surfaces and Interfaces. 76, 16 p., 107836.Research output: Contribution to journal › Article › peer-review
Open Access1 Link opens in a new tab Citation (Scopus) -
Modelling hydrogen peroxide adsorption on cerium dioxide: the effect of surface strain
Munir, S., Smith, T., Ta, K. M., Gillie, L. J., Cooke, D. J. & Molinari, M., 7 Sept 2025, In: Catalysis Science and Technology. 15, 17, p. 5150-5166 17 p.Research output: Contribution to journal › Article › peer-review
Open Access3 Link opens in a new tab Citations (Scopus)
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The CAT and SOD nanozymatic activities of nanoceria
Ta, K. (Speaker), Gillie, L. (Contributor to Paper or Presentation), Cooke, D. (Contributor to Paper or Presentation) & Molinari, M. (Contributor to Paper or Presentation)
3 Jul 2024Activity: Talk or presentation types › Oral presentation
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The effect of ceria surface composition on scavenging reactive oxygen species
Ta, K. (Speaker), Cooke, D. (Contributor to Paper or Presentation), Gillie, L. (Contributor to Paper or Presentation), Phillips, R. (Contributor to Paper or Presentation) & Molinari, M. (Contributor to Paper or Presentation)
29 Jun 2023Activity: Talk or presentation types › Oral presentation
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Composites made of Polyaniline and SrTiO3: Thermoelectric Abilities
Wood, N. (Speaker), Tse, J. (Contributor to Paper or Presentation), Skelton, J. (Contributor to Paper or Presentation), Cooke, D. (Contributor to Paper or Presentation), Gillie, L. (Contributor to Paper or Presentation) & Molinari, M. (Contributor to Paper or Presentation)
7 Sept 2022Activity: Talk or presentation types › Oral presentation
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The influence of water, carbon dioxide and hydrogen peroxide on the morphology of cerium oxide nanoparticle
Molinari, M. (Speaker), Moxon, S. (Contributor to Paper or Presentation), Parker, S. C. (Contributor to Paper or Presentation) & Cooke, D. (Contributor to Paper or Presentation)
7 Sept 2022Activity: Talk or presentation types › Oral presentation
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The magnetic properties of cubic PuH2 and PuH3: a first-principles investigation
Smith, T. (Speaker), Moxon, S. (Contributor to Paper or Presentation), Cooke, D. (Contributor to Paper or Presentation), Harker, R. M. (Contributor to Paper or Presentation), Storr, M. T. (Contributor to Paper or Presentation) & Molinari, M. (Contributor to Paper or Presentation)
7 Sept 2022Activity: Talk or presentation types › Poster presentation