Dr Ben Slater - Publications

    2014

    • Bromley, S. T., Goumans, T. P. M., Herbst, E., Jones, A. P., Slater, B. (2014). Challenges in modelling the reaction chemistry of interstellar dust. Physical Chemistry Chemical Physics 16(35), 18623-18643 doi:10.1039/c4cp00774c.
    • Schoenherr, M., Slater, B., Hutter, J., VandeVondele, J. (2014). Dielectric Properties of Water Ice, the Ice Ih/XI Phase Transition, and an Assessment of Density Functional Theory. JOURNAL OF PHYSICAL CHEMISTRY B 118(2), 590-596 doi:10.1021/jp4103355. Author URL
    • Slater, B., Quigley, D. (2014). CRYSTAL NUCLEATION Zeroing in on ice. NATURE MATERIALS 13(7), 670-671 Author URL

    2013

    • Cox, S. J., Raza, Z., Slater, B., Michaelides, A., Kathmann, S. M. (2013). The microscopic features of heterogeneous ice nucleation may affect the macroscopic morphology of atmospheric ice crystals. Faraday Discussions 167, 389-403 doi:10.1039/c3fd00059a.
    • Liu, Z., Fujita, N., Miyasaka, K., Han, L., Stevens, S. M., Suga, M., Asahina, S., Slater, B., Xiao, C., Sakamoto, Y., Anderson, M. W., Ryoo, R., Terasaki, O. (2013). A review of fine structures of nanoporous materials as evidenced by microscopic methods. MICROSCOPY 62(1), 109-146 doi:10.1093/jmicro/dfs098. Author URL
    • Liu, Z., Fujita, N., Miyasaka, K., Han, L., Stevens, S. M., Suga, M., Asahina, S., Slater, B., Xiao, C., Sakamoto, Y., Anderson, M. W., Ryoo, R., Terasaki, O. (2013). A review of fine structures of nanoporous materials as evidenced by microscopic methods. JOURNAL OF ELECTRON MICROSCOPY 62(1), 109-146 doi:10.1093/jmicro/dfs098. Author URL
    • Santra, B., Klimeš, J., Tkatchenko, A., Alfè, D., Slater, B., Michaelides, A., Car, R., Scheffler, M. (2013). On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures. Author URL
    • Sayers, R., Claridge, J. B., Rosseinsky, M. J., Schiffmann, F., Slater, B., Corà, F., Fearn, S., Kilner, J. A., Romani, S., Tatham, D. J. (2013). Internal activation strain and oxygen mobility in a thermally stable layered Fe Oxide. Chemistry of Materials 25(17), 3441-3457 doi:10.1021/cm4013359.
    • Woods, P. M., Slater, B., Raza, Z., Viti, S., Brown, W. A., Burke, D. J. (2013). GLYCOLALDEHYDE FORMATION VIA THE DIMERIZATION OF THE FORMYL RADICAL. ASTROPHYSICAL JOURNAL 777(2), ARTN 90 doi:10.1088/0004-637X/777/2/90. Author URL

    2012

    • Galvelis, R., Slater, B., Cheetham, A. K., Mellot-Draznieks, C. (2012). Comparison of the relative stability of zinc and lithium-boron zeolitic imidazolate frameworks. CRYSTENGCOMM 14(2), 374-378 doi:10.1039/c1ce05854a. Author URL
    • Gray, V. J., Slater, B., Wilden, J. D. (2012). Transition-Metal-Free Synthesis of Aryl-Substituted tert-Butyl Ynol Ethers through Addition/Elimination Substitution at an sp Centre. CHEMISTRY-A EUROPEAN JOURNAL 18(49), 15582-15585 doi:10.1002/chem.201203015. Author URL
    • Lanzani, G., Sarpola, A., Saukkoriipi, J., Laasonen, K., Morrison, C. A., Slater, B., Ramo, J., Pehkonen, S. O. (2012). Study of the stability of aluminium trimeric clusters in aqueous solutions. MOLECULAR SIMULATION 38(11), 934-943 doi:10.1080/08927022.2012.674209. Author URL
    • Li, M. -. R., Adem, U., McMitchell, S. R. C., Xu, Z., Thomas, C. I., Warren, J. E., Giap, D. V., Niu, H., Wan, X., Palgrave, R. G., Schiffmann, F., Cora, F., Slater, B., Burnett, T. L., Cain, M. G., Abakumov, A. M., van Tendeloo, G., Thomas, M. F., Rosseinsky, M. J., Claridge, J. B. (2012). A polar corundum oxide displaying weak ferromagnetism at room temperature. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134(8), 3737-3747 doi:10.1021/ja208395z. Author URL
    • Woods, P. M., Kelly, G., Viti, S., Slater, B., Brown, W. A., Puletti, F., Burke, D. J., Raza, Z. (2012). ON THE FORMATION OF GLYCOLALDEHYDE IN DENSE MOLECULAR CORES. Author URL

    2011

    • Cooper, A. I., Day, G. M., Jones, J. T. A., Wu, X., Hasell, T., Bacsa, J., Jelfs, K. E., Scmidtmann, M., Chong, S. Y., Trewin, A., Schiffman, F., Cora, F., Slater, B., Steiner, A. (2011). Modular and predictable assembly of porous organic molecular crystals. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242 Author URL
    • Jelfs, K. E., Schiffmann, F., Jones, J. T. A., Slater, B., Cora, F., Cooper, A. I. (2011). Conformer interconversion in a switchable porous organic cage. PHYS CHEM CHEM PHYS 13(45), 20081-20085 doi:10.1039/c1cp22527h.
    • Jones, J. T. A., Hasell, T., Wu, X. F., Bacsa, J., Jelfs, K. E., Schmidtmann, M., Chong, S. Y., Adams, D. J., Trewin, A., Schiffman, F., Cora, F., Slater, B., Steiner, A., Day, G. M., Cooper, A. I. (2011). Modular and predictable assembly of porous organic molecular crystals. NATURE 474(7351), 367-371 doi:10.1038/nature10125.
    • Pan, D., Liu, L. M., Slater, B., Michaelides, A., Wang, E. (2011). Melting the Ice: On the Relation between Melting Temperature and Size for Nanoscale Ice Crystals. ACS NANO 5(6), 4562-4569 doi:10.1021/nn200252w.
    • Park, W., Yu, D., Na, K., Jelfs, K. E., Slater, B., Sakamoto, Y., Ryoo, R. (2011). Hierarchically Structure-Directing Effect of Multi-Ammonium Surfactants for the Generation of MFI Zeolite Nanosheets. CHEMISTRY OF MATERIALS 23(23), 5131-5137 doi:10.1021/cm201709q. Author URL
    • Raza, Z., Alfe, D., Salzmann, C. G., Klimes, J., Michaelides, A., Slater, B. (2011). Proton ordering in cubic ice and hexagonal ice; a potential new ice phase-XIc. PHYS CHEM CHEM PHYS 13(44), 19788-19795 doi:10.1039/c1cp22506e.
    • Salzmann, C. G., Radaelli, P. G., Slater, B., Finney, J. L. (2011). The polymorphism of ice: five unresolved questions. PHYS CHEM CHEM PHYS 13(41), 18468-18480 doi:10.1039/c1cp21712g.
    • Santra, B., Klimeš, J., Alfè, D., Tkatchenko, A., Slater, B., Michaelides, A., Car, R., Scheffler, M. (2011). Hydrogen bonds and van der Waals forces in ice at ambient and high pressures. Phys. Rev. Lett. 107, 185701- doi:10.1103/PhysRevLett.107.185701. Author URL Publisher URL
    • Watkins, M., Pan, D., Wang, E. G., Michaelides, A., VandeVondele, J., Slater, B. (2011). Large variation of vacancy formation energies in the surface of crystalline ice. NAT MATER 10(10), 794-798 doi:10.1038/NMAT3096.

    2010

    • Brent, R., Cubillas, P., Stevens, S. M., Jelfs, K. E., Umemura, A., Gebbie, J. T., Slater, B., Terasaki, O., Holden, M. A., Anderson, M. W. (2010). Unstitching the Nanoscopic Mystery of Zeolite Crystal Formation. J AM CHEM SOC 132(39), 13858-13868 doi:10.1021/ja105593v.
    • Gren, W., Parker, S. C., Slater, B., Lewis, D. W. (2010). Structure of Zeolite A (LTA) Surfaces and the Zeolite A/Water Interface. J PHYS CHEM C 114(21), 9739-9747 doi:10.1021/jp909355e.
    • Holme, B., Cubillas, P., Cavka, J. H., Slater, B., Anderson, M. W., Akporiaye, D. (2010). Growth Mechanisms in SAPO-34 Studied by White Light Interferometry and Atomic Force Microscopy. CRYST GROWTH DES 10(7), 2824-2828 doi:10.1021/cg9016118.
    • Pan, D., Liu, L. M., Tribello, G. A., Slater, B., Michaelides, A., Wang, E. (2010). Surface energy and surface proton order of the ice Ih basal and prism surfaces. Journal of Physics: Condensed Matter 22, 074209-
    • Tribello, G. A., Slater, B., Zwijnenburg, M. A., Bell, R. G. (2010). Isomorphism between ice and silica. PHYS CHEM CHEM PHYS 12(30), 8597-8606 doi:10.1039/b916367k.
    • Walker, A. M., Civalleri, B., Slater, B., Mellot-Draznieks, C., Cora, F., Zicovich-Wilson, C. M., Roman-Perez, G., Soler, J. M., Gale, J. D. (2010). Flexibility in a Metal-Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al). ANGEW CHEM INT EDIT 49(41), 7501-7503 doi:10.1002/anie.201002413.
    • Watkins, M., VandeVondele, J., Slater, B. (2010). Point defects at the ice (0001) surface. P NATL ACAD SCI USA 107(28), 12429-12434 doi:10.1073/pnas.1001087107.

    2009

    • Conde, M. M., Vega, C., Tribello, G. A., Slater, B. (2009). The phase diagram of water at negative pressures: Virtual ices. J CHEM PHYS 131(3), 034510 doi:10.1063/1.3182727.
    • Cubillas, P., Castro, M., Jelfs, K. E., Lobo, A. J. W., Slater, B., Lewis, D. W., Wright, P. A., Stevens, S. M., Anderson, M. W. (2009). Spiral Growth on Nanoporous Silicoaluminophosphate STA-7 as Observed by Atomic Force Microscopy. CRYST GROWTH DES 9(9), 4041-4050 doi:10.1021/cg900255u.
    • Lewis, D. W., Ruiz-Salvador, A. R., Gomez, A., Rodriguez-Albelo, L. M., Coudert, F. X., Slater, B., Cheetham, A. K., Mellot-Draznieks, C. (2009). Zeolitic imidazole frameworks: structural and energetics trends compared with their zeolite analogues. CRYSTENGCOMM 11(11), 2272-2276 doi:10.1039/b912997a.
    • Ruan, J. F., Wu, P., Slater, B., Zhao, Z. L., Wu, L. L., Terasaki, O. (2009). Structural Characterization of Interlayer Expanded Zeolite Prepared From Ferrierite Lamellar Precursor. CHEM MATER 21(13), 2904-2911 doi:10.1021/cm900645c.
    • Tribello, G. A., Slater, B. (2009). A theoretical examination of known and hypothetical clathrate hydrate materials. J CHEM PHYS 131(2), 024703 doi:10.1063/1.3142503.
    • Walker, A. M., Woodley, S. M., Slater, B., Wright, K. (2009). A computational study of magnesium point defects and diffusion in forsterite. PHYS EARTH PLANET IN 172(1-2), 20-27 doi:10.1016/j.pepi.2008.04.001.
    • Watkins, M. B., Shevlin, S. A., Sokol, A. A., Slater, B., Catlow, C. R. A., Woodley, S. M. (2009). Bubbles and microporous frameworks of silicon carbide. PHYS CHEM CHEM PHYS 11(17), 3186-3200 doi:10.1039/b902603g.

    2008

    • Bailey, A. J., Lee, C., Feller, R. K., Orton, J. B., Mellot-Draznieks, C., Slater, B., Harrison, W. T. A., Simoncic, P., Navrotsky, A., Grossel, M. C., Cheetham, A. K. (2008). Comparison of Chiral and Racemic Forms of Zinc Cyclohexane trans-1,2-Dicarboxylate Frameworks: A Structural, Computational, and Calorimetric Study. ANGEW CHEM INT EDIT 47(45), 8634-8637 doi:10.1002/anie.200802564.
    • Butler, K., Slater, B., Lewis, D. W. (2008). Si-29 NMR chemical shifts from Density Functional Theory incorporating solvent effects. ZEOLITES AND RELATED MATERIALS: TRENDS, TARGETS AND CHALLENGES, PROCEEDINGS OF THE 4TH INTERNATIONAL FEZA CONFERENCE. ( Vol. 174 pp.725-728). ELSEVIER SCIENCE BV.
    • Catlow, C. R. A., Bell, R. G., Slater, B., Woodley, S. M. (2008). Modelling of Structures of Heterogeneous Catalysts. In Ertl, G., Knözinger, H., Schüth, F., Weitkamp, J. (Eds.). Handbook of Heterogeneous Catalysis (2 ed. ). Weinheim Wiley-VCH.
    • Coombes, D. S., Catlow, C. R. A., Slater, B. (2008). A general purpose package (MADFOMS) for predicting the morphologies and powder X-ray diffraction patterns of molecular crystals. MOL SIMULAT 34(9), 873-877 doi:10.1080/08927020802235730.
    • Meza, L. I., Anderson, M. W., Slater, B., Agger, J. R. (2008). In situ atomic force microscopy of zeolite A dissolution. PHYS CHEM CHEM PHYS 10(33), 5066-5076 doi:10.1039/b804857f.
    • Pan, D., Liu, L. M., Tribello, G. A., Slater, B., Michaelides, A., Wang, E. G. (2008). Surface Energy and Surface Proton Order of Ice Ih. Physical Review Letters 101, 155709-
    • Walker, A. M., Slater, B. (2008). Comment upon the screw dislocation structure on HKUST-1 {111} surfaces. CRYSTENGCOMM 10(6), 790-791 doi:10.1039/b802158a.

    2007

    • Slater, B., Ohsuna, T., Liu, Z., Terasaki, O. (2007). Insights into the crystal growth mechanisms of zeolites from combined experimental imaging and theoretical studies. FARADAY DISCUSS 136, 125-141 doi:10.1039/b618677g.

    2006

    • Agger, J. R., Shoaee, M., Mistry, M., Slater, B. (2006). Crystal growth of analcime studied by AFM and atomistic simulation. JOURNAL OF CRYSTAL GROWTH. ( Vol. 294 pp.78-82). ELSEVIER SCIENCE BV.
    • Akhtar, M. J., Catlow, C. R. A., Slater, B., Walker, A. M., Woodley, S. M. (2006). Bulk and surface simulation studies of La1-xCaxMnO3. CHEM MATER 18(6), 1552-1560 doi:10.1021/cm052260r.
    • Lee, C., Mellot-Draznieks, C., Slater, B., Wu, G., Harrison, W. T. A., Rao, C. N. R., Cheetham, A. K. (2006). Thermodynamic and kinetic factors in the hydrothermal synthesis of hybrid frameworks: zinc 4-cyclohexene-1,2-dicarboxylates. CHEM COMMUN (25), 2687-2689 doi:10.1039/b603512d.
    • Ramsahye, N. A., Slater, B. (2006). Incidence and properties of nanoscale defects in silicalite. Chemical Communications 2006(4), 442-444
    • Slater, B., Gale, J. D., Catlow, C. R. A., Ohsuna, T., Terasaki, O. (2006). Surface structure determination of zeolites. 154, 1197-1203
    • Tribello, G. A., Slater, B. (2006). Proton ordering energetics in ice phases. Chemical Physics Letters 425(4-6), 246-250 doi:10.1016/j.cplett.2006.04.111.
    • Tribello, G. A., Slater, B., Salzmann, C. G. (2006). A blind structure prediction of ice XIV. Journal of the American Chemical Society 128(39), 12594-12595 doi:10.1021/ja0630902.

    2005

    • Austen, K. F., Wright, K., Slater, B., Gale, J. D. (2005). The interaction of dolomite surfaces with metal impurities: a computer simulation study. PHYS CHEM CHEM PHYS 7(24), 4150-4156
    • Catlow, C. R. A., Bell, R. G., Cora, F. F., S A, S., B, S., A, A. (2005). Computer modelling of inorganic materials. Annual Reports on the Progress of Chemistry, Section A: Inorganic Chemistry 101, 513-547 doi:10.1039/b408372p.
    • Chiu, M. E., Slater, B., Gale, J. D. (2005). Simulating the dissolution and growth of zeolite beta C. ANGEW CHEM INT EDIT 44(8), 1213-1217 doi:10.1002/anie.200461545.
    • Ruan, J. F., Wu, P., Slater, B., Terasaki, O. (2005). Structure elucidation of the highly active titanosilicate catalyst Ti-YNU-1. ANGEW CHEM INT EDIT 44(41), 6719-6723 doi:10.1002/anie.200501939.
    • Salih, D., Slater, B., Lewis, D. W., Green, M. A. V. B., W, (2005). An investigation into the crystal structures of Na-J(BW) and Li-A(BW). Studies in Surface Science and Catalysis 158, 105-112
    • Slater, B., Mistry, M. (2005). Simulating crystal growth of zeolitic materials. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. ( Vol. 229 pp.U735-U735). AMER CHEMICAL SOC.
    • Walker, A. M., Gale, J. D., Slater, B., Wright, K. (2005). Atomic scale modelling of the cores of dislocations in complex materials part 1: methodology. PHYS CHEM CHEM PHYS 7(17), 3227-3234 doi:10.1039/b505612h.
    • Walker, A. M., Gale, J. D., Slater, B., Wright, K. (2005). Atomic scale modelling of the cores of dislocations in complex materials part 2: applications. PHYS CHEM CHEM PHYS 7(17), 3235-3242 doi:10.1039/b505716g.

    2004

    • Harvey, H. G., Slater, B., Attfield, M. P. (2004). Rational design of the pore system within the framework aluminium alkylenediphosphonate series. Chemistry - A European Journal 10(13), 3270-3278
    • Ohsuna, T., Slater, B., Gao, F., Yu, J. H., Sakamoto, Y., Zhu, G. S., Terasaki, O., Vaughan, D. E. W., Qiu, S. L., Catlow, C. R. A. (2004). Fine structures of zeolite-linde-L (LTL): Surface structures, growth unit and defects. Chemistry - A European Journal 10(20), 5031-5040
    • Walker, A. M., Slater, B., Gale, J. D., Wright, K. (2004). Predicting the structure of screw dislocations in nanoporous materials. Nature Materials 3(10), 715-720 doi:10.1038/nmat1213.

    2003

    • Walker, A. M., Wright, K., Slater, B. (2003). A computational study of oxygen diffusion in olivine. Physics and Chemistry of Minerals 30, 536-545

    2002

    • Cygan, R. T., Wright, K., Fisler, D. K., Gale, J. D., Slater, B. (2002). Atomistic models of carbonate minerals: Bulk and surface structures, defects, and diffusion. Molecular Simulation 28(6-7), 475-495
    • Niemeyer, D., Williams, D. E., Smith, P., Pratt, K. F. E., Slater, B., Catlow, C. R. A., Stoneham, A. M. (2002). Experimental and computational study of the gas-sensor behaviour and surface chemistry of the solid-solution Cr2-xTixO3 (x <= 0.5). Journal of Materials Chemistry 12(3), 667-675 doi:10.1039/b106554h.
    • Niemeyer, D., Williams, D. E., Smith, P., Pratt, K. F. E., Slater, B., Catlow, C. R. A., Stoneham, A. M. (2002). Experimental and computational study of the gas-sensor behaviour and surface chemistry of the solid-solution CrTiO (x ≤0.5). Journal of Materials Chemistry 12(3), 667-675
    • Ojo, S. A., Slater, B., Catlow, C. R. A. (2002). Computer simulation of calcite growth inhibition: A study of monophosphonate interaction with calcite. Molecular Simulation 28(6-7), 591-606
    • Sayle, D. C., Catlow, C. R. A., Dulamita, N., Healy, M. J. F., Maicaneanu, S. A., Slater, B., Watson, G. W. (2002). Modelling oxide thin films. Molecular Simulation 28(6-7), 683-725
    • Slater, B., Catlow, C. R. A., Liu, Z., Ohsuna, T., Terasaki, O., Camblor, M. A. (2002). Surface structure and crystal growth of zeolite Beta C. Angewandte Chemie International Edition 41(7), 1235-1239 doi:10.1002/1521-3773(20020402)41:7<1235::AID-ANIE1235>3.0.CO;2-R.
    • Wright, K., Cygan, R. T., Slater, B. (2002). Impurities and non-stoichiometry in the bulk and on the surface of dolomite. Geochimica et Cosmochimica Acta 66, 2541-2546
    • Wright, K., Cygan, R. T., Slater, B. (2002). Impurities and nonstoichiometry in the bulk and on the (1014) surface of dolomite. Geochimica et Cosmochimica Acta 66(14), 2541-2546

    2001

    • Ojo, S. A., Whitmore, L., Slater, B., Catlow, C. R. A. (2001). Understanding nucleation and growth using computer simulation. Solid State Sciences 3(7), 821-826
    • Slater, B., Catlow, C. R. A., Williams, D. E., Stoneham, A. M. (2001). Dissociation of O2 on the reduced SnO2(110) surface. Chemistry Communications , 1235-
    • Slater, B., Titiloye, J. O., Higgins, F. M., Parker, S. C. (2001). Atomistic simulation of zeolite surfaces. CURR OPIN SOLID ST M 5(5), 417-424
    • Wright, K., Cygan, R. T., Slater, B. (2001). Modelling the structure of the surfaces of calcite, dolomite and magnesite under wet and dry conditions. Physical Chemistry Chemical Physics 3, 839-844

    2000

    • Oba, F., Tanaka, I., Nishitani, S. R., Adachi, H., Slater, B., Gay, D. H. (2000). Geometry and electronic structure of [0001]/((1)over-bar(2)over-bar30) Sigma=7 symmetric tilt boundary in ZnO. PHILOS MAG A 80(7), 1567-1581
    • Sayle, D. C., Catlow, C. R. A., Harding, J. H., Healy, M. J. F., Maicaneanu, S. A., Parker, S. C., Slater, B., Watson, G. W. (2000). Atomistic simulation methodologies for modelling the nucleation, growth and structure of interfaces. Journal of Materials Chemistry 10, 1315-
    • Slater, B., Catlow, C. R. A., Williams, D. E., Stoneham, A. M. (2000). Dissociation of O-2 on the reduced SnO2 (110) surface. Chemical Communications (14), 1235-1236
    • Whitmore, L., Slater, B., Catlow, C. R. A. (2000). Adsorption of benzene at the hydroxylated (111) external surface of faujasite. Physical Chemistry Chemical Physics 2(23), 5354-5356

    1999

    • Sayle, D. C., Maicaneanu, S. A., Slater, B., Catlow, C. R. A. (1999). Exercising control over the influence of the lattice misfit on the structure of oxide-oxide thin film interfaces. J MATER CHEM 9(11), 2779-2787
    • Slater, B., Catlow, C. R. A., Gay, D. H., Williams, D. E., Dusastre, V. (1999). Study of surface segregation of antimony on SnO2 surfaces by computer simulation techniques. J PHYS CHEM B 103(48), 10644-10650

    1997

    • Catlow, C. R. A., Ackermann, L., Bell, R. G., Cora, F., Gay, D. H., Nygren, M. A., Pereira, J. C., Sastre, G., Slater, B., Sinclair, P. E. (1997). Computer modelling as a technique in solid state chemistry - Introductory lecture. FARADAY DISCUSS 106(106), 1-40