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Research Output

  • 52 Article
  • 5 Conference contribution
  • 1 Review article
2013

Simulation of the adsorption and transport of CO2 on faujasite surfaces

Crabtree, J. C., Molinari, M., Parker, S. C. & Purton, J. A., 4 Nov 2013, In : Journal of Physical Chemistry C. 117, 42, p. 21778-21787 10 p.

Research output: Contribution to journalArticle

11 Citations (Scopus)
2012

Strain and architecture-tuned reactivity in ceria nanostructures; Enhanced catalytic oxidation of CO to CO 2

Sayle, T. X. T., Cantoni, M., Bhatta, U. M., Parker, S. C., Hall, S. R., Möbus, G., Molinari, M., Reid, D., Seal, S. & Sayle, D. C., 22 May 2012, In : Chemistry of Materials. 24, 10, p. 1811-1821 11 p.

Research output: Contribution to journalArticle

58 Citations (Scopus)

Water adsorption and its effect on the stability of low index stoichiometric and reduced surfaces of ceria

Molinari, M., Parker, S. C., Sayle, D. C. & Islam, M. S., 29 Mar 2012, In : Journal of Physical Chemistry C. 116, 12, p. 7073-7082 10 p.

Research output: Contribution to journalArticle

138 Citations (Scopus)
2011

Mechanical properties of ceria nanorods and nanochains; The effect of dislocations, grain-boundaries and oriented attachment

Sayle, T. X. T., Inkson, B. J., Karakoti, A., Kumar, A., Molinari, M., Möbus, G., Parker, S. C., Seal, S. & Sayle, D. C., 1 Apr 2011, In : Nanoscale. 3, 4, p. 1823-1837 15 p.

Research output: Contribution to journalArticle

30 Citations (Scopus)

Sorptive characteristics of organomontmorillonite toward organic compounds: A combined LFERs and molecular dynamics simulation study

Zhu, R., Chen, W., Shapley, T. V., Molinari, M., Ge, F. & Parker, S. C., 1 Aug 2011, In : Environmental Science and Technology. 45, 15, p. 6504-6510 7 p.

Research output: Contribution to journalArticle

41 Citations (Scopus)

Structure of water saturated CTMA-montmorillonite hybrid: Molecular dynamics simulation investigation

Zhu, R., Shapley, T. V., Molinari, M., Ge, F. & Parker, S. C., 15 Jun 2011, Fundamental of Chemical Engineering. p. 1872-1877 6 p. (Advanced Materials Research; vol. 233-235).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

4 Citations (Scopus)
2009

Atomistic modelling of adsorption and segregation at inorganic solid interfaces

Allen, J. P., Gren, W., Molinari, M., Arrouvel, C., Maglia, F. & Parker, S. C., 1 Jun 2009, In : Molecular Simulation. 35, 7, p. 584-608 25 p.

Research output: Contribution to journalArticle

18 Citations (Scopus)
2008

Defect chemistry and dielectric properties of Yb3+: CaTi O3 perovskite

Bassoli, M., Buscaglia, M. T., Bottino, C., Buscaglia, V., Molinari, M., Maglia, F., Parravicini, G. & Dapiaggi, M., 1 Jan 2008, In : Journal of Applied Physics. 103, 1, 014104.

Research output: Contribution to journalArticle

17 Citations (Scopus)