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Last updated 17th April 2024
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.
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):
Research Expertise and Interests
- Computational Solid State Chemistry
- Bulk and Surface Defects
- Interfaces
- Crystal Growth
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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., Cooke, D., Bond, G., Heard, P., Bligh Scott, T. & Eccles, H.
1/11/11 → 31/10/15
Project: Research
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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 Access -
Modelling phosphate and arsenate adsorption on cerium dioxide: A density functional theory study
Ta, K. M., Symington, A. R., Flitcroft, J. M., Gillie, L. J., Cooke, D. J., Zhu, R., Gonçalves, M. A., Parker, S. C. & Molinari, M., 1 Nov 2025, In: Applied Surface Science. 708, 11 p., 163619.Research output: Contribution to journal › Article › peer-review
Open Access -
Sorption of arsenate on cerium oxide: a simulated infrared and Raman spectroscopic identification
Ta, K. M., Wisdom, D. O., Gillie, L. J., Cooke, D. J., Zhu, R., Gonçalves, M. A., Parker, S. C. & Molinari, M., 1 Mar 2025, In: Environmental Science: Nano. 2025, 3, p. 1896-1907 12 p.Research output: Contribution to journal › Article › peer-review
Open Access -
The Buffering Activity of Ceria toward Reactive Oxygen Species: A Density Functional Theory Perspective
Ta, K. M., Neal, C. J., Coathup, M., Seal, S., Gillie, L. J., Cooke, D. J., Parker, S. C. & Molinari, M., 3 Jul 2025, In: Journal of Physical Chemistry C. 129, 26, p. 11989-12005 17 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Towards modelling speciation and crystal morphology: The hydration of plutonium hydride surfaces
Smith, T., Moxon, S., Tse, J. S., Cooke, D. J., Gillie, L. J., Harker, R. M., Storr, M. T., Lora da silva, E. & Molinari, M., 14 Mar 2025, In: International Journal of Hydrogen Energy. 109, p. 1241-1252 12 p.Research output: Contribution to journal › Article › peer-review
Open Access
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The CAT and SOD nanozymatic activities of nanoceria
Khoa Ta (Speaker), Lisa Gillie (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (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
Khoa Ta (Speaker), David Cooke (Contributor to Paper or Presentation), Lisa Gillie (Contributor to Paper or Presentation), Roger Phillips (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
29 Jun 2023Activity: Talk or presentation types › Oral presentation
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Phosphate Adsorption on Cerium Oxide Surfaces
Khoa Ta (Speaker), Samuel Moxon (Contributor to Paper or Presentation), Roger Phillips (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
7 Sep 2022Activity: Talk or presentation types › Poster presentation
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Composites made of Polyaniline and SrTiO3: Thermoelectric Abilities
Nathan Wood (Speaker), Joshua Tse (Contributor to Paper or Presentation), Jonathan Skelton (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation), Lisa Gillie (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
7 Sep 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
Marco Molinari (Speaker), Samuel Moxon (Contributor to Paper or Presentation), Stephen C. Parker (Contributor to Paper or Presentation) & David Cooke (Contributor to Paper or Presentation)
7 Sep 2022Activity: Talk or presentation types › Oral presentation