Projects per year
Personal profile
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19 Last checked 23 June 2020
Biography
Marco Molinari is a senior lecturer in physical and computational chemistry at the School of Applied Sciences. He is a full member of the EPSRC funded Materials Chemistry Consortium and of the Huddersfield High Performance Computing Research Group.
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.
Research Expertise and Interests
- Computational modelling
- Properties of minerals and oxide materials
- Surface adsorption and reactivity
- Transport of gasses
- Nanoparticle morphology, aggregation and reactivity
Research Degree Supervision
PhD Studentships in Materials Science
- Cryptand Cages for Anion Selective Encapsulation for Nuclear Waste Remediation
- Engineering of Carbon-Oxide Composite Thermoelectric Nanomaterials
- Modelling Uranium Corrosion by Hydrogen and Formation of Uranium Hydride
Click here to see all postgraduate research opportunities with Dr Marco Molinari
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Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Projects
- 2 Finished
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NanoCeO2: Design of CeO2 Nanostructures with Enhanced Catalytic Properties
1/06/17 → 31/08/17
Project: Research
Research output
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Adsorption of phosphate and cadmium on iron (oxyhydr)oxides: A comparative study on ferrihydrite, goethite, and hematite
Liu, J., Zhu, R., Ma, L., Fu, H., Lin, X., Parker, S. C. & Molinari, M., 1 Feb 2021, In: Geoderma. 383, 11 p., 114799.Research output: Contribution to journal › Article › peer-review
Open AccessFile9 Citations (Scopus) -
An atomistic modelling investigation of the defect chemistry of SrTiO3 and its Ruddlesden-Popper phases, Srn+1TinO3n+1 (n = 1–3)
Wood, N. D., Teter, D. M., Tse, J., Jackson, R. A., Cooke, D., Gillie, L., Parker, S. & Molinari, M., 1 Nov 2021, In: Journal of Solid State Chemistry. 303, 17 p., 122523.Research output: Contribution to journal › Article › peer-review
Open Access -
Customising Microstructural and Mineralogical Characteristics of Hydrated Lime using Biopolymers
Pesce, C., Pesce, G. L., Molinari, M. & Richardson, A., 22 Apr 2021, (Accepted/In press) Proceedings of the 4th International Conference on Bio-based Building Materials: ICBBM 2021. Scientific.net, (Advances in Science and Technology).Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review
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Effects of organic additives on calcium hydroxide crystallisation during lime slaking
Pesce, C., Pesce, G. L., Molinari, M. & Richardson, A., 1 Jan 2021, In: Cement and Concrete Research. 139, 13 p., 106254.Research output: Contribution to journal › Article › peer-review
Open AccessFile1 Citation (Scopus) -
Elucidating the Nature of Grain Boundary Resistance in Lithium Lanthanum Titanate
Symington, A., Molinari, M., Dawson, J., Statham, J., Purton, J. A., Canepa, P. & Parker, S. C., 14 Mar 2021, In: Journal of Materials Chemistry A. 9, 10, p. 6487-6498 12 p.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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Computer-Aided Design of Nanoceria Structures as Enzyme Mimetic Agents: The Role of Bodily Electrolytes on Maximising Their Activity
Molinari, M. (Creator), University of Huddersfield, 2019
DOI: 10.34696/yqqc-xw77, https://huddersfield.box.com/s/lyvzmh0q2xnhfgm5cytxnum43gf7mtr6 and one more link, https://huddersfield.box.com/s/3ud0ikhrgowu4j6d1n6py1yfwwzlmqjd (show fewer)
Dataset
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Controlling the {111}/{110} surface Ratio of Cuboidal Ceria Nanoparticles
Molinari, M. (Creator), University of Huddersfield, 2019
https://huddersfield.box.com/s/hwgks9sl2gngdqap4nv348blxuv5ifac
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
Activities
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Engineering the polyaniline:SrTiO3 interface: A density functional theory study
Nathan Wood (Speaker), Joshua Tse (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)
15 Jul 2021Activity: Talk or presentation types › Poster presentation
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UK-V4 Frontiers of Science 2021
Marco Molinari (Chair) & Maria Omastova (Chair)
10 Jun 2021 → 11 Jun 2021Activity: Participating in or organising an event types › Organising a conference, workshop, ...
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Modelling the evolution of CeO2 nanoparticles morphology in the presence of H2O, CO2 and H2O2
Samuel Moxon (Contributor to Paper or Presentation), Stephen Parker (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Speaker)
14 Apr 2021Activity: Talk or presentation types › Oral presentation
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Adsorption of water, carbon dioxide and hydrogen on PuO2: A density functional theory study
Samuel Moxon (Speaker), Stephen Parker (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
13 Apr 2021Activity: Talk or presentation types › Oral presentation
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Engineering the polyaniline:SrTiO3 interface: A density functional theory study
Nathan Wood (Speaker), Joshua Tse (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 Apr 2021Activity: Talk or presentation types › Oral presentation