All Stories

  1. The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials

    Article • Journal of the American Chemical Society, March 2017, American Chemical Society (ACS)

    Dr Ben Slater

  2. Is High-Density Amorphous Ice Simply a “Derailed” State along the Ice I to Ice IV Pathway?

    Article • The Journal of Physical Chemistry Letters, March 2017, American Chemical Society (ACS)

    Dr Ben Slater

  3. Rational Design of a Low-Cost, High-Performance Metal–Organic Framework for Hydrogen Storage and Carbon Capture

    Article • The Journal of Physical Chemistry C, January 2017, American Chemical Society (ACS)

    Dr Ben Slater

  4. Dynamic acidity in defective UiO-66

    Article • Chemical Science, January 2016, Royal Society of Chemistry

    Dr Ben Slater

  5. In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis

    Article • Chemical Science, January 2016, Royal Society of Chemistry

    Dr Ben Slater

  6. Unusually Large Band Gap Changes in Breathing Metal–Organic Framework Materials

    Article • The Journal of Physical Chemistry C, July 2015, American Chemical Society (ACS)

    Dr Ben Slater

  7. Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity

    Article • The Journal of Chemical Physics, May 2015, American Institute of Physics

    Dr Ben Slater

  8. Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers

    Article • The Journal of Chemical Physics, May 2015, American Institute of Physics

    Dr Ben Slater

  9. Theoretical study of conformational disorder and selective adsorption of small organic molecules in the flexible metal-organic framework material MIL-53-Fe

    Article • Molecular Simulation, May 2015, Taylor & Francis

    Dr Ben Slater

  10. Computational Approaches to the Design, Crystal Structure Prediction, and Structure–Property Relationships of Metal–Organic Frameworks

    Article • January 2015, Taylor & Francis

    Dr Ben Slater

  11. Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal–Organic Frameworks by Modifying the Framework Inorganic Anion

    Article • Chemistry of Materials, January 2015, American Chemical Society (ACS)

    Dr Ben Slater

  12. Chemical and Structural Stability of Zirconium-based Metal-Organic Frameworks with Large Three-Dimensional Pores by Linker Engineering

    Article • Angewandte Chemie, December 2014, Wiley

    Dr Ben Slater

  13. Chemical and Structural Stability of Zirconium-based Metal-Organic Frameworks with Large Three-Dimensional Pores by Linker Engineering

    Article • Angewandte Chemie International Edition, December 2014, Wiley

    Dr Ben Slater

  14. Periodic MP2, RPA, and Boundary Condition Assessment of Hydrogen Ordering in Ice XV

    Article • The Journal of Physical Chemistry Letters, December 2014, American Chemical Society (ACS)

    Dr Ben Slater

  15. Zeroing in on ice

    Article • Nature Materials, June 2014, Springer Science + Business Media

    Dr Ben Slater

  16. Dielectric Properties of Water Ice, the Ice Ih/XI Phase Transition, and an Assessment of Density Functional Theory

    Article • The Journal of Physical Chemistry, January 2014, American Chemical Society (ACS)

    Dr Ben Slater

  17. GLYCOLALDEHYDE FORMATION VIA THE DIMERIZATION OF THE FORMYL RADICAL

    Article • The Astrophysical Journal, October 2013, American Astronomical Society

    Professor Wendy A Brown, Dr Ben Slater

  18. On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures

    Article • The Journal of Chemical Physics, October 2013, American Institute of Physics

    Dr Ben Slater

  19. ChemInform Abstract: Transition-Metal-Free Synthesis of Aryl-Substituted tert-Butyl Ynol Ethers Through Addition/Elimination Substitution at an sp Centre.

    Article • ChemInform, April 2013, Wiley

    Dr Ben Slater

  20. Impact of functionalized linkers on the energy landscape of ZIFs

    Article • CrystEngComm, January 2013, Royal Society of Chemistry

    Dr Ben Slater

  21. The microscopic features of heterogeneous ice nucleation may affect the macroscopic morphology of atmospheric ice crystals

    Article • Faraday Discussions, January 2013, Royal Society of Chemistry

    Dr Ben Slater

  22. Transition-Metal-Free Synthesis of Aryl-Substitutedtert-Butyl Ynol Ethers through Addition/Elimination Substitution at an sp Centre

    Article • Chemistry - A European Journal, October 2012, Wiley

    Dr Ben Slater

  23. ON THE FORMATION OF GLYCOLALDEHYDE IN DENSE MOLECULAR CORES

    Article • The Astrophysical Journal, April 2012, American Astronomical Society

    Professor Wendy A Brown, Dr Ben Slater

  24. A Polar Corundum Oxide Displaying Weak Ferromagnetism at Room Temperature

    Article • Journal of the American Chemical Society, February 2012, American Chemical Society (ACS)

    Dr Ben Slater

  25. Comparison of the relative stability of zinc and lithium-boron zeolitic imidazolate frameworks

    Article • CrystEngComm, January 2012, Royal Society of Chemistry

    Dr Ben Slater

  26. Hierarchically Structure-Directing Effect of Multi-Ammonium Surfactants for the Generation of MFI Zeolite Nanosheets

    Article • Chemistry of Materials, November 2011, American Chemical Society (ACS)

    Dr Kim E Jelfs, Dr Ben Slater

  27. Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures

    Article • Physical Review Letters, October 2011, American Physical Society (APS)

    Dr Ben Slater

  28. Melting the Ice: On the Relation between Melting Temperature and Size for Nanoscale Ice Crystals

    Article • ACS Nano, June 2011, American Chemical Society (ACS)

    Dr Ben Slater

  29. Modular and predictable assembly of porous organic molecular crystals

    Article • Nature, June 2011, Springer Science + Business Media

    Professor Graeme Day, Dr Kim E Jelfs, Dr Ben Slater

  30. Proton ordering in cubic ice and hexagonal ice; a potential new ice phase—XIc

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Dr Ben Slater

  31. Conformer interconversion in a switchable porous organic cage

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Dr Kim E Jelfs, Dr Ben Slater

  32. The polymorphism of ice: five unresolved questions

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Dr Ben Slater

  33. Unstitching the Nanoscopic Mystery of Zeolite Crystal Formation

    Article • Journal of the American Chemical Society, September 2010, American Chemical Society (ACS)

    Dr Kim E Jelfs, Dr Ben Slater

  34. Flexibility in a Metal-Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al)

    Article • Angewandte Chemie International Edition, September 2010, Wiley

    Dr Bartolomeo Civalleri, Dr Ben Slater

  35. Flexibility in a Metal-Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al)

    Article • Angewandte Chemie, September 2010, Wiley

    Dr Bartolomeo Civalleri, Dr Ben Slater

  36. Growth Mechanisms in SAPO-34 Studied by White Light Interferometry and Atomic Force Microscopy

    Article • Crystal Growth & Design, July 2010, American Chemical Society (ACS)

    Dr Ben Slater

  37. Point defects at the ice (0001) surface

    Article • Proceedings of the National Academy of Sciences, June 2010, Proceedings of the National Academy of Sciences

    Dr Ben Slater

  38. Structure of Zeolite A (LTA) Surfaces and the Zeolite A/Water Interface

    Article • The Journal of Physical Chemistry C, June 2010, American Chemical Society (ACS)

    Dr Ben Slater

  39. Surface energy and surface proton order of the ice Ih basal and prism surfaces

    Article • Journal of Physics Condensed Matter, February 2010, Institute of Physics Publishing

    Dr Ben Slater

  40. Isomorphism between ice and silica

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Dr Ben Slater

  41. Spiral Growth on Nanoporous Silicoaluminophosphate STA-7 as Observed by Atomic Force Microscopy

    Article • Crystal Growth & Design, August 2009, American Chemical Society (ACS)

    Dr Kim E Jelfs, Dr Ben Slater

  42. A theoretical examination of known and hypothetical clathrate hydrate materials

    Article • The Journal of Chemical Physics, July 2009, American Institute of Physics

    Dr Ben Slater

  43. Structural Characterization of Interlayer Expanded Zeolite Prepared From Ferrierite Lamellar Precursor

    Article • Chemistry of Materials, July 2009, American Chemical Society (ACS)

    Dr Ben Slater

  44. Modeling dynamics of the external surface of zeolite LTA

    Article • Microporous and Mesoporous Materials, July 2009, Elsevier

    Dr Ben Slater

  45. A computational study of magnesium point defects and diffusion in forsterite

    Article • Physics of The Earth and Planetary Interiors, January 2009, Elsevier

    Dr Scott M Woodley, Dr Ben Slater

  46. Zeolitic imidazole frameworks: structural and energetics trends compared with their zeolite analogues

    Article • CrystEngComm, January 2009, Royal Society of Chemistry

    Dr Ben Slater, Dr A. Rabdel Ruiz-Salvador

  47. Comparison of Chiral and Racemic Forms of Zinc Cyclohexanetrans-1,2-Dicarboxylate Frameworks: A Structural, Computational, and Calorimetric Study

    Article • Angewandte Chemie, October 2008, Wiley

    Dr Ben Slater

  48. Comparison of Chiral and Racemic Forms of Zinc Cyclohexanetrans-1,2-Dicarboxylate Frameworks: A Structural, Computational, and Calorimetric Study

    Article • Angewandte Chemie International Edition, October 2008, Wiley

    Dr Ben Slater

  49. Surface Energy and Surface Proton Order of Ice I h

    Article • Physical Review Letters, October 2008, American Physical Society (APS)

    Dr Ben Slater

  50. A general purpose package (MADFOMS) for predicting the morphologies and powder X-ray diffraction patterns of molecular crystals

    Article • Molecular Simulation, August 2008, Taylor & Francis

    Dr Ben Slater

  51. Modeling of Structures and Reactivity of Solid Catalysts

    Article • March 2008, Wiley

    Dr Scott M Woodley, Dr Ben Slater

  52. In situ atomic force microscopy of zeolite A dissolution

    Article • Physical Chemistry Chemical Physics, January 2008, Royal Society of Chemistry

    Dr Ben Slater

  53. Comment upon the screw dislocation structure on HKUST-1 {111} surfaces

    Article • CrystEngComm, January 2008, Royal Society of Chemistry

    Dr Ben Slater

  54. 29Si NMR chemical shifts from Density Functional Theory incorporating solvent effects

    Article • January 2008, Elsevier

    Dr Ben Slater

  55. The role of organic templates in controlling zeolite crystal morphology

    Article • January 2007, Elsevier

    Dr Kim E Jelfs, Dr Ben Slater

  56. Insights into the crystal growth mechanisms of zeolites from combined experimental imaging and theoretical studies

    Article • Faraday Discussions, January 2007, Royal Society of Chemistry

    Dr Ben Slater

  57. Molecular Modelling in Zeolite Science

    Article • January 2007, Elsevier

    Dr Robert G Bell, Dr Ben Slater

  58. Influence of cations on crystal growth mechanism: ABW vs. JBW

    Article • January 2007, Elsevier

    Dr Ben Slater

  59. A Blind Structure Prediction of Ice XIV

    Article • Journal of the American Chemical Society, October 2006, American Chemical Society (ACS)

    Dr Ben Slater

  60. Crystal growth of analcime studied by AFM and atomistic simulation

    Article • Journal of Crystal Growth, August 2006, Elsevier

    Dr Ben Slater

  61. Proton ordering energetics in ice phases

    Article • Chemical Physics Letters, July 2006, Elsevier

    Dr Ben Slater

  62. Computer Modelling of Inorganic Materials

    Article • ChemInform, June 2006, Wiley

    Dr Ben Slater

  63. Bulk and Surface Simulation Studies of La1-xCaxMnO3

    Article • Chemistry of Materials, February 2006, American Chemical Society (ACS)

    Dr Scott M Woodley, Dr Ben Slater

  64. Incidence and properties of nanoscale defects in silicalite

    Article • Chemical Communications, January 2006, Royal Society of Chemistry

    Dr Ben Slater

  65. Thermodynamic and kinetic factors in the hydrothermal synthesis of hybrid frameworks: zinc 4-cyclohexene-1,2-dicarboxylates

    Article • Chemical Communications, January 2006, Royal Society of Chemistry

    Dr Ben Slater

  66. Computational Investigation Into the Adsorption of Pollutants Onto Mineral Surfaces: Arsenate and Dolomite

    Article • MRS Proceedings, January 2006, Cambridge University Press

    Dr Ben Slater

  67. Structure Elucidation of the Highly Active Titanosilicate Catalyst Ti-YNU-1

    Article • Angewandte Chemie, October 2005, Wiley

    Dr Ben Slater

  68. Structure Elucidation of the Highly Active Titanosilicate Catalyst Ti-YNU-1

    Article • Angewandte Chemie International Edition, October 2005, Wiley

    Dr Ben Slater

  69. Simulating the Dissolution and Growth of Zeolite Beta C

    Article • Angewandte Chemie, February 2005, Wiley

    Dr Ben Slater

  70. Simulating the Dissolution and Growth of Zeolite Beta C

    Article • Angewandte Chemie International Edition, February 2005, Wiley

    Dr Ben Slater

  71. Atomic scale modelling of the cores of dislocations in complex materials part 2: applications

    Article • Physical Chemistry Chemical Physics, January 2005, Royal Society of Chemistry

    Dr Ben Slater

  72. 25  Computer modelling of inorganic materials

    Article • Annual Reports Section A (Inorganic Chemistry), January 2005, Royal Society of Chemistry

    Dr Ben Slater

  73. Atomic scale modelling of the cores of dislocations in complex materials part 1: methodology

    Article • Physical Chemistry Chemical Physics, January 2005, Royal Society of Chemistry

    Dr Ben Slater

  74. The interaction of dolomite surfaces with metal impurities: a computer simulation study

    Article • Physical Chemistry Chemical Physics, January 2005, Royal Society of Chemistry

    Dr Ben Slater

  75. Fine Structures of Zeolite-Linde-L (LTL): Surface Structures, Growth Unit and Defects

    Article • Chemistry - A European Journal, October 2004, Wiley

    Dr Ben Slater

  76. Predicting the structure of screw dislocations in nanoporous materials

    Article • Nature Materials, September 2004, Springer Science + Business Media

    Dr Ben Slater

  77. Modeling Nucleation and Growth in Zeolites

    Article • July 2003, Taylor & Francis

    Dr Ben Slater

  78. NOVEL FRAMEWORK ALUMINIUM DIPHOSPHONATES

    Article • July 2002, World Scientific Pub Co Pte Lt

    Dr Martin Peter Attfield, Dr Ben Slater

  79. Impurities and nonstoichiometry in the bulk and on the (101̄4) surface of dolomite

    Article • Geochimica et Cosmochimica Acta, July 2002, Elsevier

    Dr Ben Slater

  80. Modelling oxide thin films

    Article • Molecular Simulation, June 2002, Taylor & Francis

    Dr Dean C Sayle, Dr Ben Slater

  81. Atomistic models of carbonate minerals: Bulk and surface structures, defects, and diffusion

    Article • Molecular Simulation, June 2002, Taylor & Francis

    Dr Ben Slater

  82. Surface Structure and Crystal Growth of Zeolite Beta C

    Article • Angewandte Chemie, April 2002, Wiley

    Professor Miguel A. Camblor, Dr Ben Slater

  83. Surface Structure and Crystal Growth of Zeolite Beta C

    Article • Angewandte Chemie International Edition, April 2002, Wiley

    Professor Miguel A. Camblor, Dr Ben Slater

  84. Experimental and computational study of the gas-sensor behaviour and surface chemistry of the solid-solution Cr2–xTixO3 (x ≤ 0.5)

    Article • Journal of Materials Chemistry, February 2002, Royal Society of Chemistry

    Dr Ben Slater

  85. Understanding nucleation and growth using computer simulation

    Article • Solid State Sciences, October 2001, Elsevier

    Dr Ben Slater

  86. Structure of the (101̄4) surfaces of calcite, dolomite and magnesite under wet and dry conditions

    Article • Physical Chemistry Chemical Physics, January 2001, Royal Society of Chemistry

    Dr Ben Slater

  87. Geometry and electronic structure of [0001]/(1230) Σ = 7 symmetric tilt boundary in ZnO

    Article • Philosophical Magazine A, July 2000, Taylor & Francis

    Dr Ben Slater

  88. Dissociation of O2 on the reduced SnO2 (110) surface

    Article • Chemical Communications, January 2000, Royal Society of Chemistry

    Dr Ben Slater

  89. Atomistic simulation methodologies for modelling the nucleation, growth and structure of interfaces

    Article • Journal of Materials Chemistry, January 2000, Royal Society of Chemistry

    Dr Dean C Sayle, Dr Ben Slater

  90. Adsorption of benzene at the hydroxylated (111) external surface of faujasite

    Article • Physical Chemistry Chemical Physics, January 2000, Royal Society of Chemistry

    Dr Ben Slater

  91. Atomistic Simulations of the (1014) Surface of Carbonate Minerals

    Article • MRS Proceedings, January 2000, Cambridge University Press

    Dr Ben Slater

  92. Competitive Adsorption of O2 and H2O at the Neutral and Defective SnO2 (110) Surface

    Article • MRS Proceedings, January 2000, Cambridge University Press

    Dr Ben Slater

  93. Study of Surface Segregation of Antimony on SnO 2 Surfaces by Computer Simulation Techniques

    Article • The Journal of Physical Chemistry, December 1999, American Chemical Society (ACS)

    Dr Ben Slater

  94. Exercising control over the influence of the lattice misfit on the structure of oxide–oxide thin film interfaces

    Article • Journal of Materials Chemistry, January 1999, Royal Society of Chemistry

    Dr Dean C Sayle, Dr Ben Slater

  95. Introductory Lecture Computer modelling as a technique in solid state chemistry

    Article • Faraday Discussions, January 1997, Royal Society of Chemistry

    Dr German Sastre, Dr Ben Slater

  96. Monte Carlo simulations of the first-order phase transition in vanadium dioxide

    Article • Philosophical Magazine B, January 1996, Taylor & Francis

    Dr Ben Slater