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Last updated 27th March 2023
Biography
Marco Molinari is Reader in Computational Chemistry and Materials Science at the School of Applied Sciences. He serves as a member of the committee of the EPSRC-funded Materials Chemistry Consortium and of the RSC local section Huddersfield.
He carried out his undergraduate studies at the University of Pavia (Italy, 2006) before taking his PhD in computational chemistry (2009) as a collaboration between the Universality of Pavia and Bath (UK). He started his EPSRC funded postdoctoral research in computational chemistry in the group of Stephen Parker at the University of Bath, working on surface science, materials science and computational chemistry.
His current research applies computational techniques to energy and enviromental materials, their surfaces and interfaces.
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 modelling
- Properties of minerals and oxide materials
- Surface adsorption and reactivity
- Transport of gasses
- Nanoparticle morphology, aggregation and reactivity
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Collaborations and top research areas from the last five years
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Projects
- 2 Finished
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NanoCeO2: Design of CeO2 Nanostructures with Enhanced Catalytic Properties
1/06/17 → 31/08/17
Project: Research
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Aging mechanisms of nanoceria and pathways for preserving optimum morphology
Sayle, D. C., Caddeo, F., Morgan, L. M., Neale, R. L., Sayle, T. X. T., Brambila, C., Nutter, J., Bhatta, U., Ta, K. M., Flitcroft, J. M., Sakthivel, T. S., Seal, S., Möbus, G. & Molinari, M., 1 Aug 2023, In: Nano Today. 51, 10 p., 101916.Research output: Contribution to journal › Article › peer-review
Open Access -
A novel approach for the prevention of ionizing radiation-induced bone loss using a designer multifunctional cerium oxide nanozyme
Wei, F., Neal, C. J., Sakthivel, T. S., Fu, Y., Omer, M., Adhikary, A., Ward, S., Ta, K. M., Moxon, S., Molinari, M., Asiatico, J., Kinzel, M., Yarmolenko, S. N., San Cheong, V., Orlovskaya, N., Ghosh, R., Seal, S. & Coathup, M., 1 Mar 2023, In: Bioactive Materials. 21, p. 547-565 19 p.Research output: Contribution to journal › Article › peer-review
Open Access13 Citations (Scopus) -
Effect of acetate ions and pH on the morphology of cerium oxide nanoparticles
Fu, Y., Neal, C. J., Kolanthai, E., Munir, S., Ta, K. M., Molinari, M. & Seal, S., 20 Dec 2023, In: Colloids and Surfaces A: Physicochemical and Engineering Aspects. 679, 12 p., 132616.Research output: Contribution to journal › Article › peer-review
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Effects of carbohydrates and sulfonates during CaO hydration on portlandite microstructure
Pesce, C., Ball, R. J., Molinari, M., Reeksting, S. & Pesce, G. L., 1 Jan 2024, In: Cement and Concrete Research. 175, 15 p., 107372.Research output: Contribution to journal › Article › peer-review
Open Access -
Effects of sucrose on fresh-state and setting properties of air lime
Pesce, C., Pesce, G., Molinari, M. & Corradi, M., 1 Sep 2023, In: Materials and Structures/Materiaux et Constructions. 56, 7, 20 p., 131.Research output: Contribution to journal › Article › peer-review
Open Access2 Citations (Scopus)
Datasets
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The Energetics of Carbonated PuO2 Surfaces Affects Nanoparticle Morphology: A DFT+U Study
Molinari, M. (Creator), University of Huddersfield, 2020
https://huddersfield.box.com/s/ahotv651gf36avkxetub96ys4gjob54q
Dataset
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Data for: Effect of Acetate Ions and pH on the Morphology of Cerium Oxide Nanoparticles
Molinari, M. (Creator), Mendeley Data, 2023
DOI: https://doi.org/10.17632/9xkwp3s4nz.1
Dataset
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The impact of Hydrogen on the intermediate oxygen clusters and diffusion in Fluorite Structured UO2+x
Molinari, M. (Creator), University of Huddersfield, 2019
https://huddersfield.box.com/s/090jx75fvntzvy9ksuy0b45uys2uaqpm
Dataset
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Data for "The Impact of Tilt Grain Boundaries on the Thermal Transport in Perovskite SrTiO3 Layered Nanostructures. A Computational Study"
Parker, S. (Creator), Molinari, M. (Creator) & Yeandel, S. (Creator), University of Bath, 19 Jul 2018
DOI: 10.15125/bath-00536
Dataset
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Data for: Infrared and Raman Diagnostic Modelling of Phosphates Adsorption on Ceria Nanoparticles
Molinari, M. (Creator), Mendeley Data, 29 Sep 2023
DOI: https://doi.org/10.17632/mch46pddb4.1
Dataset
Activities
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Goldschmidt2023
Marco Molinari (Organiser)
13 Jul 2023 → 14 Jul 2023Activity: Participating in or organising an event types › Organising a conference, workshop, ...
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Modelling Morphology and Surface Speciation of Nanoparticles
Marco Molinari (Speaker), Samuel Moxon (Contributor to Paper or Presentation) & Stephen C. Parker (Contributor to Paper or Presentation)
13 Jul 2023Activity: Talk or presentation types › Invited talk
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Structure and stability of grain boundaries in doped fluorite crystals from atomistic simulation
Tom Underwood (Speaker), Susanna Vigorito (Contributor to Paper or Presentation), Marco Molinari (Contributor to Paper or Presentation), John A. Purton (Contributor to Paper or Presentation) & Stephen C. Parker (Contributor to Paper or Presentation)
13 Jul 2023Activity: Talk or presentation types › Oral presentation
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Goldschmidt2023
Marco Molinari (Chair)
13 Jul 2023 → 14 Jul 2023Activity: Participating in or organising an event types › Participating in a conference, workshop, ...
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Materials Chemistry Consortium 5th Conference
Marco Molinari (Chair)
30 Jun 2023Activity: Participating in or organising an event types › Participating in a conference, workshop, ...