Nanostructured Thermoelectric Oxides for Energy Generation: A Combined Experimental and Modelling Investigation

2017

Concurrent la and A-Site Vacancy Doping Modulates the Thermoelectric Response of SrTiO₃: Experimental and Computational Evidence

Azough, F., Jackson, S. S., Ekren, D., Freer, R., Molinari, M., Yeandel, S. R., Panchmatia, P. M., Parker, S. C., Maldonado, D. H., Kepaptsoglou, D. M. & Ramasse, Q. M., 6 Dec 2017, In: ACS Applied Materials and Interfaces. 9, 48, p. 41988-42000 13 p.

Research output: Contribution to journal › Article › peer-review

Open Access

45 Citations (SciVal)

Structural, Electronic and Transport Properties of Hybrid SrTiO3-Graphene and Carbon Nanoribbon Interfaces

Baran, J., Eames, C., Takahashi, K., Molinari, M., Islam, M. & Parker, S. C., 14 Nov 2017, In: Chemistry of Materials. 29, 17, p. 7364–7370 7 p.

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14 Citations (SciVal)

163 Downloads (Pure)

2016

Ba_6−3xNd_8+2xTi₁₈O₅₄ tungsten bronze: a new high-temperature n-type oxide thermoelectric

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. & 4 others, Mallick, T., Sellami, N., Min, G. & Sweet, T., Mar 2016, In: Journal of Electronic Materials. 45, 3, p. 1894-1899 6 p.

Research output: Contribution to journal › Article › peer-review

Open Access

16 Citations (SciVal)

Nanostructuring perovskite oxides: the impact of SrTiO₃ nanocubes 3D self-assembly on thermal conductivity

Yeandel, S. R., Molinari, M. & Parker, S. C., 2016, In: RSC Advances. 6, 115, p. 114069-114077

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15 Citations (SciVal)

171 Downloads (Pure)

The role of structure and defect chemistry in high-performance thermoelectric bismuth strontium cobalt oxides

Baran, J. D., Kepaptsoglou, D. M., Molinari, M., Kulwongwit, N., Azough, F., Freer, R., Ramasse, Q. M. & Parker, S. C., 26 Sept 2016, In: Chemistry of Materials. 28, 20, p. 7470-7478

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20 Citations (SciVal)

179 Downloads (Pure)

Tungsten bronze barium neodymium titanate (Ba_6-3nNd_8+2nTi₁₈O₅₄) an intrinsic nanostructured material and its defect distribution

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. & Freer, R., 18 Apr 2016, In: Inorganic Chemistry. 55, 7, p. 3338-3350 13 p.

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17 Citations (SciVal)

454 Downloads (Pure)

2015

Atomistic investigation of the structure and transport properties of tilt grain boundaries of UO₂

Williams, N. R., Molinari, M., Parker, S. C. & Storr, M. T., Mar 2015, In: Journal of Nuclear Materials. 458, p. 45-55 11 p.

Research output: Contribution to journal › Article › peer-review

56 Citations (SciVal)

Computer simulation of defect clusters in UO2 and their dependence on composition

Brincat, N., Molinari, M., Parker, S. C., Allen, G. C. & Storr, M. T., 1 Jan 2015, In: Journal of Nuclear Materials. 456, p. 329-333

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37 Citations (SciVal)

202 Downloads (Pure)

Crystal structure and thermoelectric properties of Sr-Mo substituted CaMnO₃: a combined experimental and computational study

Srivastava, D., Azough, F., Freer, R., Combe, E., Funahashi, R., Kepaptsoglou, D. M., Ramasse, Q. M., Molinari, M., Yeandel, S. R., Baran, J. D. & Parker, S. C., 21 Dec 2015, In: Journal of Materials Chemistry C. 3, 47, p. 12245-12259 15 p.

Research output: Contribution to journal › Article › peer-review

41 Citations (SciVal)

Density functional theory calculations of defective UO₂ at U₃O₇ stoichiometry

Brincat, N., Molinari, M., Allen, G. C., Storr, M. T. & Parker, S. C., 1 Dec 2015, In: Journal of Nuclear Materials. 467, Part 2, p. 724-729 6 p.

Research output: Contribution to journal › Article › peer-review

16 Citations (SciVal)

Density functional theory investigation of the layered uranium oxides U₃O₈ and U₂O₅

Brincat, N. A., Parker, S. C., Molinari, M., Allen, G. C. & Storr, M. T., 28 Jan 2015, In: Dalton Transactions. 44, 6, p. 2613-2622 10 p.

Research output: Contribution to journal › Article › peer-review

38 Citations (SciVal)

High-temperature thermoelectric properties of (1 − x) SrTiO₃ − (x) La_1/3NbO₃ ceramic solid solution

Srivastava, D., Azough, F., Molinari, M., Parker, S. C. & Freer, R., Jun 2015, In: Journal of Electronic Materials. 44, 6, p. 1803-1808

Research output: Contribution to journal › Article › peer-review

15 Citations (SciVal)

Hydride ion formation in stoichiometric UO₂

Flitcroft, J. M., Molinari, M., Brincat, N. A., Storr, M. T. & Parker, S. C., 2015, In: Chemical Communications. 51, 90, p. 16209-16212 4 p.

Research output: Contribution to journal › Article › peer-review

18 Citations (SciVal)

Modelling the effects of surfactant loading level on the sorption of organic contaminants on organoclays

Zhou, Q., Zhu, R., Parker, S. C., Zhu, J., He, H. & Molinari, M., 2015, In: RSC Advances. 5, 58, p. 47022-47030 9 p.

Research output: Contribution to journal › Article › peer-review

27 Citations (SciVal)

Tuning thermoelectric properties of misfit layered cobaltites by chemically induced strain

Baran, J. D., Molinari, M., Kulwongwit, N., Azough, F., Freer, R., Kepaptsoglou, D., Ramasse, Q. M. & Parker, S. C., 25 Nov 2015, In: Journal of Physical Chemistry C. 119, 38, p. 21818-21827 10 p.

Research output: Contribution to journal › Article › peer-review

34 Citations (SciVal)

2014

Ab initio investigation of the UO₃ polymorphs: Structural properties and thermodynamic stability

Brincat, N., Parker, S. C., Molinari, M., Allen, G. C. & Storr, M. T., 1 Dec 2014, In: Inorganic Chemistry. 53, 23, p. 12253-12264 12 p.

Research output: Contribution to journal › Article › peer-review

43 Citations (SciVal)

A Raman spectroscopic study of uranyl minerals from Cornwall, UK

Driscoll, R., Wolverson, D., Mitchels, J. M., Skelton, J., Parker, S., Molinari, M., Khan, I., Geeson, D. & Allen, G. C., 2014, In: RSC Advances. 4, 103, p. 59137–59149

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38 Citations (SciVal)

468 Downloads (Pure)

Structural, electronic and thermoelectric behaviour of CaMnO and CaMnO

Molinari, M., Tompsett, D. A., Parker, S. C., Azough, F. & Freer, R., 14 Sept 2014, In: Journal of Materials Chemistry A. 2, 34, p. 14109-14117 9 p.

Research output: Contribution to journal › Article › peer-review

105 Citations (SciVal)

Toward modeling clay mineral nanoparticles: the edge surfaces of pyrophyllite and their interaction with water

Martins, D. M. S., Molinari, M., Gonc¸alves, M. A., Mirão, J. P. & Parker, S. C., 26 Nov 2014, In: Journal of Physical Chemistry C. 118, 47, p. 27308-27317 10 p.

Research output: Contribution to journal › Article › peer-review

50 Citations (SciVal)

2013

Atomistic modeling of the sorption free energy of dioxins at clay-water interfaces

Shapley, T. V., Molinari, M., Zhu, R. & Parker, S. C., 27 Nov 2013, In: Journal of Physical Chemistry C. 117, 47, p. 24975-24984 10 p.

Research output: Contribution to journal › Article › peer-review

24 Citations (SciVal)

2012

Atomistic simulations for nanostructured oxide thermoelectric materials

Yeandel, S., Molinari, M., Parker, S., Sayle, D. C., Freer, R. & Azough, F., 2012.

Research output: Contribution to conference › Paper

Nanostructured Thermoelectric Oxides for Energy Generation: A Combined Experimental and Modelling Investigation

Research output

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