Research

Items by Molinari, Marco

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Number of items: 18.

Articles

Williams, N. R., Molinari, M., Parker, S. C. and Storr, M. T., 2015. Atomistic investigation of the structure and transport properties of tilt grain boundaries of UO2. Journal of Nuclear Materials, 458, pp. 45-55.

Brincat, N. A., Molinari, M., Parker, S. C., Allen, G. C. and Storr, M. T., 2015. Computer simulation of defect clusters in UO2 and their dependence on composition. Journal of Nuclear Materials, 456, pp. 329-333.

Brincat, N., Parker, S. C., Molinari, M., Allen, G. C. and Storr, M. T., 2014. Ab initio investigation of the UO3 polymorphs : Structural properties and thermodynamic stability. Inorganic Chemistry, 53 (23), pp. 12253-12264.

Driscoll, R., Wolverson, D., Mitchels, J. M., Skelton, J., Parker, S., Molinari, M., Khan, I., Geeson, D. and Allen, G. C., 2014. A Raman spectroscopic study of uranyl minerals from Cornwall, UK. RSC Advances, 4 (103), 59137–59149.

Srivastava, D., Azough, F., Molinari, M., Parker, S. C. and Freer, R., 2014. Forthcoming. High-temperature thermoelectric properties of (1 − x) SrTiO3 − (x) La1/3NbO3 ceramic solid solution. Journal of Electronic Materials

Molinari, M., Tompsett, D.A., Parker, S.C., Azough, F. and Freer, R., 2014. Structural, electronic and thermoelectric behaviour of CaMnO and CaMnO. Journal of Materials Chemistry A, 2 (34), pp. 14109-14117.

Martins, D. M. S., Molinari, M., Gonc¸alves, M. A., Mirão, J. P. and Parker, S. C., 2014. Toward modeling clay mineral nanoparticles : the edge surfaces of pyrophyllite and their interaction with water. Journal of Physical Chemistry C, 118 (47), pp. 27308-27317.

Shapley, T. V., Molinari, M., Zhu, R. and Parker, S. C., 2013. Atomistic modeling of the sorption free energy of dioxins at clay-water interfaces. Journal of Physical Chemistry C, 117 (47), pp. 24975-24984.

Bhatta, U. M., Reid, D., Sakthivel, T., Sayle, T. X. T., Sayle, D., Molinari, M., Parker, S. C., Ross, I. M., Seal, S. and Möbus, G., 2013. Morphology and surface analysis of pure and doped cuboidal ceria nanoparticles. Journal of Physical Chemistry C, 117 (46), pp. 24561-24569.

Zhu, R., Molinari, M., Shapley, T.V. and Parker, S.C., 2013. Modeling the interaction of nanoparticles with mineral surfaces : adsorbed C60 on pyrophyllite. The Journal of Physical Chemistry A, 117 (30), pp. 6602-6611.

Sayle, T. X. T., Molinari, M., Das, S., Bhatta, U. M., Möbus, G., Parker, S. C., Seal, S. and Sayle, D. C., 2013. Environment-mediated structure, surface redox activity and reactivity of ceria nanoparticles. Nanoscale, 5 (13), pp. 6063-6073.

Crabtree, J., Molinari, M., Parker, S. C. and Purton, J. A., 2013. Simulation of the adsorption and transport of CO2 on faujasite surfaces. Journal of Physical Chemistry C, 117 (42), pp. 21778-21787.

Sayle, T. X. T., Cantoni, M., Bhatta, U. M., Parker, S. C., Hall, S. R., Möbus, G., Molinari, M., Reid, D., Seal, S. and Sayle, D. C., 2012. Strain and architecture-tuned reactivity in ceria nanostructures; Enhanced catalytic oxidation of CO to CO2. Chemistry of Materials, 24 (10), pp. 1811-1821.

Molinari, M., Parker, S. C., Sayle, D. C. and Islam, M. S., 2012. Water adsorption and its effect on the stability of low index stoichiometric and reduced surfaces of ceria. Journal of Physical Chemistry C, 116 (12), pp. 7073-7082.

Zhu, R., Chen, W., Shapley, T. V., Molinari, M., Ge, F. and Parker, S. C., 2011. Sorptive characteristics of organomontmorillonite toward organic compounds: a combined LFERs and molecular dynamics simulation study. Environmental Science & Technology, 45 (15), pp. 6504-6510.

Sayle, T. X. T., Inkson, B. J., Karakoti, A., Kumar, A., Molinari, M., Mobus, G., Parker, S. C., Seal, S. and Sayle, D. C., 2011. Mechanical properties of ceria nanorods and nanochains; the effect of dislocations, grain-boundaries and oriented attachment. Nanoscale, 3 (4), pp. 1823-1837.

Zhu, R., Shapley, T. V., Molinari, M., Ge, F. and Parker, S. C., 2011. Structure of water saturated CTMA-montmorillonite hybrid: Molecular dynamics simulation investigation. Advanced Materials Research, 233-235, pp. 1872-1877.

Conference or Workshop Items

Yeandel, S., Molinari, M., Parker, S., Sayle, D. C., Freer, R. and Azough, F., 2012. Atomistic simulations for nanostructured oxide thermoelectric materials. In: Material Research Society Fall Meeting 2012, 2012-11-01, Boston.

This list was generated on Mon Mar 30 06:55:21 2015 IST.