Department of Chemistry

steve_parker

Professor of Physcial Chemistry

1 South 1.24

Email: S.C.Parker@bath.ac.uk

Tel: +44 (0) 1225 386505 

Personal website

 

Prof Stephen Parker

Profile

The focus of our research is in developing and applying novel computer simulation techniques to extend our understanding of the structure, stability and reactivity of ceramics and minerals at the atomic level. There are broadly three main areas where we apply these techniques, firstly the structure and stability of solid surfaces, secondly chemical reactions occurring at solid surfaces and finally, the modification of crystal structures.

Research Interests

  • Computer Simulation of Surfaces
  • Predictive Modelling of the Structure and Reactivity of Catalysts
  • Computer Simulation of Ceramic and Mineral Crystal Structures

Publications

Pesce, G., Fletcher, I., Grant, R., Parker, S., Molinari, M. and Ball, R., 2017. Phase Transformations and Ion Exchange During Early Age Carbonation. In: 37th Cement and Concrete Science Conference, 2017-09-11 - 2017-09-12, UCL.

Baran, J., Eames, C., Takahashi, K., Molinari, M., Islam, M. and Parker, S., 2017. Structural, Electronic and Transport Properties of Hybrid SrTiO3-Graphene and Carbon Nanoribbon Interfaces. Chemistry of Materials, 29 (17), 7364–7370.

Skelton, J. M., Burton, L. A., Jackson, A., Oba, F., Parker, S. C. and Walsh, A., 2017. Lattice dynamics of the tin sulphides SnS2, SnS and Sn2S3:vibrational spectra and thermal transport. Physical Chemistry Chemical Physics, 19 (19), pp. 12452-12465.

Molinari, M., Brincat, N. A., Allen, G. C. and Parker, S. C., 2017. Structure and properties of some layered U2O5 phases:a density functional theory study. Inorganic Chemistry, 56 (8), pp. 4468-4473.

Pesce, G. L., Fletcher, I. W., Grant, R., Molinari, M., Parker, S. C. and Ball, R. J., 2017. Carbonation of Hydrous Materials at the Molecular Level:A Time of Flight-Secondary Ion Mass Spectrometry, Raman and Density Functional Theory Study. Crystal Growth and Design, 17 (3), pp. 1036-1044.

Tegner, B. E., Molinari, M., Kerridge, A., Parker, S. C. and Kaltsoyannis, N., 2017. Water adsorption on AnO2 {111}, {110}, and {100} surfaces (An = U and Pu):A density functional theory + U study. Journal of Physical Chemistry C, 121 (3), pp. 1675-1682.

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.

Raithby, P., Woodall, C., Christensen, J., Skelton, J., Hatcher, L., Parlett, A., Walsh, A., Parker, S., Beavers, C. M., Teat, S., Intissar, M., Reber, C. and Allan, D. R., 2016. Observation of a re-entrant phase transition in the molecular complex tris­(μ2-3,5-diiso­propyl-1,2,4-triazolato-κ2N1:N2)trigold(I) under high pressure. IUCrJ, 3 (5), p. 367.

Skelton, J., Burton, L., Parker, S., Walsh, A., Kim, C.-e., Soon, A., Buckeridge, J., Sokol, A. A., Catlow, C. R. A., Togo, A. and Tanaka, I., 2016. Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions. Physical Review Letters, 117, 075502.

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.

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.

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.

Grant, J., Pesce, G. L., Ball, R. J., Molinari, M. and Parker, S. C., 2016. An experimental and computational study to resolve the composition of dolomitic lime. RSC Advances, 6 (19), pp. 16066-16072.

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.

Yeandel, S. R., Molinari, M. and Parker, S. C., 2016. Nanostructuring perovskite oxides:the impact of SrTiO3 nanocubes 3D self-assembly on thermal conductivity. RSC Advances, 6 (115), pp. 114069-114077.

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., 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.

Arrouvel, C., Peixoto, T. C., Valerio, M. E.G. and Parker, S. C., 2015. Lithium migration at low concentration in TiO2 polymorphs. Computational and Theoretical Chemistry, 1072, pp. 43-51.

Eder, S. D., Fladischer, K., Yeandel, S. R., Lelarge, A., Parker, S. C., Søndergård, E. and Holst, B., 2015. A giant reconstruction of α-quartz (0001) interpreted as three domains of nano dauphine twins. Scientific Reports, 5, 14545.

Pesce, G., Ball, R., Grant, R., Yeandel, S. and Parker, S., 2015. Atomistic modelling for the construction industry. In: 35th Cement and Concrete Science Conference (CCSC35), 2015-08-26 - 2015-08-28, Scotland.

Skelton, J. M., Tiana, D., Parker, S. C., Togo, A., Tanaka, I. and Walsh, A., 2015. Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors. Journal of Chemical Physics, 143 (6), 064710.

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.

Nekoueian, K., Hotchen, C. E., Amiri, M., Sillanpää, M., Nelson, G. W., Foord, J. S., Holdway, P., Buchard, A., Parker, S. C. and Marken, F., 2015. Interfacial electron shuttling processes across Kolliphor®EL monolayer grafted electrodes. ACS Applied Materials and Interfaces, 7 (28), pp. 15458-15465.

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.

Da Silva, E. L., Skelton, J. M., Parker, S. C. and Walsh, A., 2015. Phase stability and transformations in the halide perovskite CsSnI3. Physical Review B, 91 (14), 144107.

Skelton, J. M., Da Silva, E. L., Crespo-Otero, R., Hatcher, L. E., Raithby, P. R., Parker, S. C. and Walsh, A., 2015. Electronic excitations in molecular solids:bridging theory and experiment. Faraday Discussions, 177, pp. 181-202.

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., 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.

Skelton, J. M., Crespo-Otero, R., Hatcher, L. E., Parker, S. C., Raithby, P. R. and Walsh, A., 2015. Energetics, thermal isomerisation and photochemistry of the linkage-isomer system [Ni(Et4dien)(η2-O,ON)(η1-NO2)]. CrystEngComm, 17 (2), pp. 383-394.

Brincat, N., 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.

Rowlandson, J., Edler, K., Parker, S. and Ting, V., 2015. Characterisation of Nanoporous Carbons for Hydrogen Storage Materials. In: H2FC: Hydrogen & Fuel Cell SUPERGEN Researcher Conference, 2014-12-15 - 2014-12-17, University of Birmingham.

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.

Sayle, T. X. T., Inkson, B. J., Möbus, G., Parker, S. C., Seal, S. and Sayle, D. C., 2014. Mechanical properties of mesoporous ceria nanoarchitectures. Physical Chemistry Chemical Physics, 16 (45), pp. 24899-24912.

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.

Whiteside, A., Fisher, C.A.J., Parker, S.C. and Islam, S., 2014. Particle shapes and surface structures of olivine NaFePO4 in comparison to LiFePO. Physical Chemistry Chemical Physics, 16 (39), pp. 21788-21794.

Tompsett, D.A., Parker, S.C. and Islam, M.S., 2014. Surface properties of α-MnO2:Relevance to catalytic and supercapacitor behaviour. Journal of Materials Chemistry A, 2 (37), pp. 15509-15518.

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.

Skelton, J. M., Parker, S. C., Togo, A., Tanaka, I. and Walsh, A., 2014. Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles. Physical Review B, 89, 205203.

Bristow, J. K., Tiana, D., Parker, S. C. and Walsh, A., 2014. Defect chemistry of Ti and Fe impurities and aggregates in Al 2 O 3. Journal of Materials Chemistry A, 2 (17), pp. 6198-6208.

Rowlandson, J., Parker, S. C., Edler, K. J. and Ting, V., 2014. Analysis of porosity in activated carbons:Reconciling gas sorption with scattering data. In: 10th International Symposium on the Characterization of Porous Solids (COPS-X), 2014-05-11 - 2014-05-14, Granada Exhibition and Conference Centre.

Tompsett, D. A., Parker, S. C. and Islam, M. S., 2014. Rutile (β-)MnO2 surfaces and vacancy formation for high electrochemical and catalytic performance. Journal of the American Chemical Society, 136 (4), pp. 1418-1426.

Rowlandson, J., Ting, V. and Parker, S. C., 2014. Structural characterisation and molecular modelling of porous carbons for hydrogen storage. In: DTC symposium series - Hydrogen storage, 2014-01-30 - 2014-01-30, Bath.

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.

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.

Pesce, G., Ball, R., Parker, S. and Grant, R., 2014. Lime Based Materials in Construction: Experimental investigations for the development and validation of atomic models. Manado: Civil Engineering Department Sam Ratulangi University, pp. 29-36.

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.

Purton, J. A., Crabtree, J. C. and Parker, S. C., 2013. DL_MONTE:A general purpose program for parallel Monte Carlo simulation. Molecular Simulation, 39 (14-15), pp. 1240-1252.

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.

Bristow, J. K., Parker, S. C., A. Catlow, C. R., Woodley, S. M. and Walsh, A., 2013. Microscopic origin of the optical processes in blue sapphire. Chemical Communications, 49 (46), pp. 5259-5261.

Purton, J. A., Parker, S. C. and Allan, N. L., 2013. Monte Carlo simulation and free energies of mixed oxide nanoparticles. Physical Chemistry Chemical Physics, 15 (17), pp. 6219-6225.

Tompsett, D.A., Parker, S.C., Bruce, P.G. and Islam, M.S., 2013. Nanostructuring of β-MnO2:The important role of surface to bulk ion migration. Chemistry of Materials, 25 (4), pp. 536-541.

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.

Rezende, M.V. D. S., Arrouvel, C., Parker, S. C., Rey, J.F.Q. and Valerio, M.E.G., 2012. Study of surfaces and morphologies of proteic sol–gel derived barium aluminate nanopowders: An experimental and computational study. Materials Chemistry and Physics, 136 (2-3), pp. 1052-1059.

Bhatta, U. M., Ross, I. M., Sayle, T. X. T., Sayle, D. C., Parker, S. C., Reid, D., Seal, S., Kumar, A. and Möbus, G., 2012. Cationic surface reconstructions on cerium oxide nanocrystals: an aberration-corrected HRTEM study. ACS Nano, 6 (1), pp. 421-430.

Allen, J.P., Marmier, A. and Parker, S.C., 2012. Atomistic simulation of surface selectivity on carbonate formation at calcium and magnesium oxide surfaces. Journal of Physical Chemistry C, 116 (24), pp. 13240-13251.

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.

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.

Allen, J. P., Scanlon, D. O., Parker, S. C. and Watson, G. W., 2011. Tin monoxide: Structural prediction from first principles calculations with van der Waals corrections. Journal of Physical Chemistry C, 115 (40), pp. 19916-19924.

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.

Cummings, C. Y., Wadhawan, J. D., Nakabayashi, T., Haga, M.-a., Rassaei, L., Dale, S. E. C., Bending, S., Pumera, M., Parker, S. C. and Marken, F., 2011. Electron hopping rate measurements in ITO junctions: Charge diffusion in a layer-by-layer deposited ruthenium(II)-bis(benzimidazolyl)pyridine-phosphonate-TiO2 film. Journal of Electroanalytical Chemistry, 657 (1-2), pp. 196-201.

Lizarraga, R., Holmstrom, E., Parker, S. C. and Arrouvel, C., 2011. Structural characterization of amorphous alumina and its polymorphs from first-principles XPS and NMR calculations. Physical Review B, 83 (9), 094201.

Spagnoli, D., Allen, J. P. and Parker, S. C., 2011. The structure and dynamics of hydrated and hydroxylated magnesium oxide nanoparticles. Langmuir, 27 (5), pp. 1821-1829.

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.

Armstrong, A. R., Arrouvel, C., Gentili, V., Parker, S. C., Islam, M. S. and Bruce, P. G., 2010. Lithium coordination sites in LixTiO2(B): a structural and computational study. Chemistry of Materials, 22 (23), pp. 6426-6432.

Marmier, A., Lethbridge, Z. A. D., Walton, R. I., Smith, C. W., Parker, S. C. and Evans, K. E., 2010. ElAM: A computer program for the analysis and representation of anisotropic elastic properties. Computer Physics Communications, 181 (12), pp. 2102-2115.

Gren, W., Parker, S. C., Slater, B. and Lewis, D. W., 2010. Structure of zeolite A (LTA) surfaces and the zeolite A/water interface. Journal of Physical Chemistry C, 114 (21), pp. 9739-9747.

Aschauer, U., Spagnoli, D., Bowen, P. and Parker, S., 2010. Growth modification of seeded calcite using carboxylic acids: atomistic simulations. Journal of Colloid and Interface Science, 346 (1), pp. 226-231.

Marmier, A., Ntoahae, P. S., Ngoepe, P. E., Pettifor, D. G. and Parker, S. C., 2010. Negative compressibility in platinum sulfide using density-functional theory. Physical Review B, 81 (17), 172102.

Maphanga, R. R., Parker, S. C. and Ngoepe, P. E., 2009. Atomistic simulation of the surface structure of electrolytic manganese dioxide. Surface Science, 603 (21), pp. 3184-3190.

Hart, J. N., Parker, S. C. and Lapkin, A. A., 2009. Energy Minimization of Single-Walled Titanium Oxide Nanotubles. ACS Nano, 3 (11), pp. 3401-3412.

Allen, J. P., Gren, W., Molinari, M., Arrouvel, C., Maglia, F. and Parker, S. C., 2009. Atomistic modelling of adsorption and segregation at inorganic solid interfaces. Molecular Simulation, 35 (7), pp. 584-608.

Allen, J. P., Parker, S. C. and Price, D. W., 2009. Atomistic simulation of the surface carbonation of calcium and magnesium oxide surfaces. Journal of Physical Chemistry C, 113 (19), pp. 8320-8328.

Arrouvel, C., Parker, S. C. and Islam, M. S., 2009. Lithium insertion and transport in the TiO2-B anode material: A computational study. Chemistry of Materials, 21 (20), pp. 4778-4783.

Aschauer, U., Bowen, P. and Parker, S. C., 2009. Oxygen vacancy diffusion in alumina: New atomistic simulation methods applied to an old problem. Acta Materialia, 57 (16), pp. 4765-4772.

Salje, E. K. H., Artacho, E., Austen, K. F., Bruin, R. P., Calleja, M., Chappell, H. F., Chiang, G. T., Dove, M. T., Frame, I., Goodwin, A. L., Kleese Van Dam, K., Marmier, A., Parker, S. C., Pruneda, J. M., Todorov, I. T., Trachenko, K., Tyer, R. P., Walker, A. M. and White, T. O. H., 2009. eScience for molecular-scale simulations and the eMinerals project. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 367 (1890), pp. 967-985.

Spagnoli, D., Banfield, J. F. and Parker, S. C., 2008. Free energy change of aggregation of nanoparticles. Journal of Physical Chemistry C, 112 (38), pp. 14731-14736.

Galmarini, S., Aschauer, U., Bowen, P. and Parker, S. C., 2008. Atomistic Simulation of Y-Doped alpha-Alumina Interfaces. Journal of the American Ceramic Society, 91 (11), pp. 3643-3651.

This list was generated on Fri Oct 20 13:19:30 2017 IST.

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