Items by Molinari, Marco

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Number of items: 18.


Srivastava, D., Azough, F., Molinari, M., Parker, S. C. and Freer, R., 2015. High-temperature thermoelectric properties of (1 − x) SrTiO3 − (x) La1/3NbO3 ceramic solid solution. Journal of Electronic Materials, 44 (6), pp. 1803-1808.

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.

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.

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 Sat May 30 02:39:29 2015 IST.