Research

Items by Molinari, Marco

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Number of items: 36.

Articles

Baran, J. D., Kepaptsoglou, D. M., Molinari, M., Kulwongwit, N., Azough, F., Freer, R., Ramasse, Q. M. and Parker, S. C., 2016. The role of structure and defect chemistry in high-performance thermoelectric bismuth strontium cobalt oxides. Chemistry of Materials, 28 (20), pp. 7470-7478. Item availability may be restricted.

Azough, F., Cernik, R. J., Schaffer, B., Kepaptsoglou, D., Ramasse, Q. M., Bigatti, M., Ali, A., MacLaren, I., Barthel, J., Molinari, M., Baran, J. D., Parker, S. C. and Freer, R., 2016. Tungsten bronze barium neodymium titanate (Ba6-3nNd8+2nTi18O54) an intrinsic nanostructured material and its defect distribution. Inorganic Chemistry, 55 (7), pp. 3338-3350. Item availability may be restricted.

Azough, F., Freer, R., Yeandel, S. R., Baran, J. D., Molinari, M., Parker, S. C., Guilmeau, E., Kepaptsoglou, D., Ramasse, Q., Knox, A., Gregory, D., Paul, D., Paul, M., Montecucco, A., Siviter, J., Mullen, P., Li, W., Han, G., Man, E. A., Baig, H., Mallick, T., Sellami, N., Min, G. and Sweet, T., 2016. Ba6−3xNd8+2xTi18O54 tungsten bronze:a new high-temperature n-type oxide thermoelectric. Journal of Electronic Materials, 45 (3), pp. 1894-1899.

Srivastava, D., Azough, F., Freer, R., Combe, E., Funahashi, R., Kepaptsoglou, D. M., Ramasse, Q. M., Molinari, M., Yeandel, S. R., Baran, J. D. and Parker, S. C., 2015. Crystal structure and thermoelectric properties of Sr-Mo substituted CaMnO3:a combined experimental and computational study. Journal of Materials Chemistry C, 3 (47), pp. 12245-12259.

Brincat, N. A., Molinari, M., Allen, G. C., Storr, M. T. and Parker, S. C., 2015. Density functional theory calculations of defective UO2 at U3O7 stoichiometry. Journal of Nuclear Materials, 467 (Part 2), pp. 724-729.

Baran, J. D., Molinari, M., Kulwongwit, N., Azough, F., Freer, R., Kepaptsoglou, D., Ramasse, Q. M. and Parker, S. C., 2015. Tuning thermoelectric properties of misfit layered cobaltites by chemically induced strain. Journal of Physical Chemistry C, 119 (38), pp. 21818-21827.

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., Parker, S. C., Molinari, M., Allen, G. C. and Storr, M. T., 2015. Density functional theory investigation of the layered uranium oxides U3O8 and U2O5. Dalton Transactions, 44 (6), pp. 2613-2622.

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.

Flitcroft, J. M., Molinari, M., Brincat, N. A., Storr, M. T. and Parker, S. C., 2015. Hydride ion formation in stoichiometric UO2. Chemical Communications, 51 (90), pp. 16209-16212.

Zhou, Q., Zhu, R., Parker, S. C., Zhu, J., He, H. and Molinari, M., 2015. Modelling the effects of surfactant loading level on the sorption of organic contaminants on organoclays. RSC Advances, 5 (58), pp. 47022-47030.

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.

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.

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.

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.

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.

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.

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.

Conference or Workshop Items

Pesce, G., Molinari, M., Grant, R., Parker, S. and Ball, R., 2016. Experimental and computational study of the dissolution mechanism of Portlandite nano-crystals. In: Euro AFM Forum, 2016-06-22 - 2016-06-24, Ecole de physique, University of Geneva.

Ball, R., Pesce, G., Molinari, M., Grant, R., Parker, S. and Fletcher, I., 2016. Atomistic Modelling for the Study of Dissolution and Carbonation of Lime. In: 36th Cement and Concrete Science Conference, 2016-09-05 - 2016-10-06, Welsh Academy of Music and Drama, Cardiff University.

Pesce, G., Ball, R., Molinari, M., Grant, R. and Parker, S., 2016. Atomistic modelling for low-carbon cement and concrete technologies. In: International Workshop on Innovation in Low-carbon Cement & Concrete Technology, 2016-09-21 - 2016-09-24, University College.

Pesce, G., Ball, R., Grant, R., Yeandel, S., Parker, S. and Molinari, M., 2015. Experimental Investigation for the Development and Validation of Atomistic Models in Construction. In: 16th International Conference on Non-conventional Materials and Technologies (NOCMAT 2015), 2015-08-10 - 2015-08-13.

Brincat, N. A., Parker, S. C., Molinari, M., Allen, G. C. and Storr, M. T., 2014. Ab initio investigation of the uranium-oxygen system. In: Plutonium Futures: The Science 2014, 2014-09-07 - 2014-09-12. American Nuclear Society, p. 133.

Driscoll, R. J. P., Allen, G. C., Parker, S. C., Wolverson, D., Molinari, M., Khan, I. and Geeson, D., 2014. Raman spectroscopy as a forensic tool to distinguish between uranium minerals. In: Plutonium Futures: The Science 2014, 2014-09-07 - 2014-09-12. American Nuclear Society, p. 173.

Flitcroft, J. M., Parker, S. C., Storr, M. and Molinari, M., 2014. The structure and transport of H defects in UO2. In: Plutonium Futures: The Science 2014, 2014-09-07 - 2014-09-12. Illinois, U. S. A.: American Nuclear Society, p. 149.

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.

This list was generated on Sun Dec 4 13:50:18 2016 GMT.