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

Parker, Steve (PI)

Department of Chemistry

Project: Research council

21 results

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

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

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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

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

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

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

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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
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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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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
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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
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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
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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
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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
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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
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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: The Journal of Physical Chemistry C. 119, 38, p. 21818-21827 10 p.
Research output: Contribution to journal › Article › peer-review
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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
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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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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
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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: The Journal of Physical Chemistry C. 118, 47, p. 27308-27317 10 p.
Research output: Contribution to journal › Article › peer-review
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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: The Journal of Physical Chemistry C. 117, 47, p. 24975-24984 10 p.
Research output: Contribution to journal › Article › peer-review
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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

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