All Stories

  1. ChemInform Abstract: Exploring the Properties and Applications of Nanoceria: Is There Still Plenty of Room at the Bottom?

    Article • ChemInform, February 2015, Wiley

    Dr Dean C Sayle

  2. Origin of electrochemical activity in nano-Li2MnO3; stabilization via a ‘point defect scaffold’

    Article • Nanoscale, January 2015, Royal Society of Chemistry

    Dr Dean C Sayle

  3. Liquid crystal seed nucleates liquid–solid phase change in ceria nanoparticles

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Dean C Sayle

  4. Engineering of nanoscale defect patterns in CeO2 nanorods via ex situ and in situ annealing

    Article • Nanoscale, January 2015, Royal Society of Chemistry

    Dr Dean C Sayle

  5. Visualizing The Enhanced Chemical Reactivity of Mesoporous Ceria; Simulating Templated Crystallization in Silica Scaffolds at the Atomic Level

    Article • Journal of the American Chemical Society, March 2014, American Chemical Society (ACS)

    Dr Dean C Sayle

  6. Exploring the properties and applications of nanoceria: is there still plenty of room at the bottom?

    Article • Environmental Science Nano, January 2014, Royal Society of Chemistry

    Dr Kenneth J Reed, Dr Dean C Sayle

  7. Behavior of nanoceria in biologically-relevant environments

    Article • Environmental Science Nano, January 2014, Royal Society of Chemistry

    Dr Dean C Sayle

  8. Mechanical properties of mesoporous ceria nanoarchitectures

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr Dean C Sayle

  9. Morphological Phase Diagram of Biocatalytically Active Ceria Nanostructures as a Function of Processing Variables and Their Properties

    Article • ChemPlusChem, November 2013, Wiley

    Dr Dean C Sayle

  10. Morphology and Surface Analysis of Pure and Doped Cuboidal Ceria Nanoparticles

    Article • The Journal of Physical Chemistry C, November 2013, American Chemical Society (ACS)

    Dr Dean C Sayle

  11. Cover Picture: Morphological Phase Diagram of Biocatalytically Active Ceria Nanostructures as a Function of Processing Variables and Their Properties (ChemPlusChem 12/2013)

    Article • ChemPlusChem, November 2013, Wiley

    Dr Dean C Sayle

  12. Morphological Phase Diagram of Biocatalytically Active Ceria Nanostructures as a Function of Processing Variables and Their Properties

    Article • ChemPlusChem, October 2013, Wiley

    Dr Dean C Sayle

  13. Cellular Interaction and Toxicity Depend on Physicochemical Properties and Surface Modification of Redox-Active Nanomaterials

    Article • ACS Nano, June 2013, American Chemical Society (ACS)

    Dr Dean C Sayle

  14. ATOMISTIC MODELLING OF CERIA NANOSTRUCTURES: INTRODUCING STRUCTURAL COMPLEXITY

    Article • May 2013, World Scientific Pub Co Pte Lt

    Dr Dean C Sayle

  15. Toward the Nanoscale

    Article • April 2013, Wiley

    Dr Dean C Sayle

  16. Environment-mediated structure, surface redox activity and reactivity of ceria nanoparticles

    Article • Nanoscale, January 2013, Royal Society of Chemistry

    Dr Dean C Sayle

  17. The induction of angiogenesis by cerium oxide nanoparticles through the modulation of oxygen in intracellular environments

    Article • Biomaterials, November 2012, Elsevier

    Dr Dean C Sayle

  18. Electron beam induced surface morphology changes of CeO2 nanocrystals: An in-situ aberration corrected TEM study

    Article • August 2012, Institute of Electrical & Electronics Engineers (IEEE)

    Dr Dean C Sayle

  19. Atomic motion on various surfaces of ceria nanoparticles in comparison

    Article • Journal of Physics Conference Series, July 2012, Institute of Physics Publishing

    Dr Dean C Sayle

  20. Strain and Architecture-Tuned Reactivity in Ceria Nanostructures; Enhanced Catalytic Oxidation of CO to CO 2

    Article • Chemistry of Materials, May 2012, American Chemical Society (ACS)

    Dr Dean C Sayle

  21. Water Adsorption and Its Effect on the Stability of Low Index Stoichiometric and Reduced Surfaces of Ceria

    Article • The Journal of Physical Chemistry C, March 2012, American Chemical Society (ACS)

    Dr Dean C Sayle

  22. Reduced Graphene Oxide Conjugated Cu 2 O Nanowire Mesocrystals for High-Performance NO 2 Gas Sensor

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

    Dr Dean C Sayle

  23. Cationic Surface Reconstructions on Cerium Oxide Nanocrystals: An Aberration-Corrected HRTEM Study

    Article • ACS Nano, January 2012, American Chemical Society (ACS)

    Dr Dean C Sayle

  24. SINGLE-ATOM MOVEMENT: Dynamics of Polar Surfaces on Ceria Nanoparticles Observed In Situ with Single-Atom Resolution (Adv. Funct. Mater. 11/2011)

    Article • Advanced Functional Materials, May 2011, Wiley

    Dr Dean C Sayle

  25. Dynamics of Polar Surfaces on Ceria Nanoparticles Observed In Situ with Single-Atom Resolution

    Article • Advanced Functional Materials, March 2011, Wiley

    Dr Dean C Sayle

  26. Amorphization and recrystallization study of lithium insertion into manganese dioxide

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

    Dr Dean C Sayle

  27. Mechanical properties of ceria nanorods and nanochains; the effect of dislocations, grain-boundaries and oriented attachment

    Article • Nanoscale, January 2011, Royal Society of Chemistry

    Dr Dean C Sayle

  28. EXAFS and Raman scattering studies of Y and Zr doped nano-crystalline tin oxide

    Article • Journal of Physics Conference Series, November 2010, Institute of Physics Publishing

    Dr Dean C Sayle

  29. Elastic Deformation in Ceria Nanorods via a Fluorite-to-Rutile Phase Transition

    Article • ACS Nano, February 2010, American Chemical Society (ACS)

    Dr Dean C Sayle

  30. Nanopolycrystalline materials; a general atomistic model for simulation

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

    Dr Dean C Sayle

  31. Generating structural distributions of atomistic models of Li2O nanoparticles using simulated crystallisation

    Article • Journal of Materials Chemistry, January 2010, Royal Society of Chemistry

    Dr Dean C Sayle

  32. Simulating Mechanical Deformation in Nanomaterials with Application for Energy Storage in Nanoporous Architectures

    Article • ACS Nano, September 2009, American Chemical Society (ACS)

    Dr Dean C Sayle

  33. Predicting the Electrochemical Properties of MnO2Nanomaterials Used in Rechargeable Li Batteries: Simulating Nanostructure at the Atomistic Level

    Article • Journal of the American Chemical Society, May 2009, American Chemical Society (ACS)

    Dr Dean C Sayle

  34. Self-Assembly of Cerium Oxide Nanostructures in Ice Molds

    Article • Small, August 2008, Wiley

    Dr Dean C Sayle

  35. Mapping Nanostructure: A Systematic Enumeration of Nanomaterials by Assembling Nanobuilding Blocks at Crystallographic Positions

    Article • ACS Nano, June 2008, American Chemical Society (ACS)

    Dr Dean C Sayle

  36. “Simulating Synthesis”:  Ceria Nanosphere Self-Assembly into Nanorods and Framework Architectures

    Article • Journal of the American Chemical Society, June 2007, American Chemical Society (ACS)

    Dr Dean C Sayle

  37. Atomistic Modeling of Multilayered Ceria Nanotubes

    Article • Nano Letters, March 2007, American Chemical Society (ACS)

    Dr Dean C Sayle

  38. Oxygen transport in unreduced, reduced and Rh(iii)-doped CeO2nanocrystals

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

    Dr Dean C Sayle

  39. Simulating Self-Assembly of ZnS Nanoparticles into Mesoporous Materials

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

    Dr Dean C Sayle

  40. Computer Modelling of Oxygen Mobility at Ceria Surfaces and the Construction of Ceria Nanotube Models

    Article • Advances in Science and Technology, October 2006, Trans Tech Publications

    Dr Dean C Sayle

  41. Application of molecular dynamics DL_POLY codes to interfaces of inorganic materials

    Article • Molecular Simulation, October 2006, Taylor & Francis

    Dr Dean C Sayle

  42. Evolving microstructure in MnO2 using amorphisation and recrystallisation

    Article • Journal of Crystal Growth, August 2006, Elsevier

    Dr Dean C Sayle

  43. Modelling structure and transport at mineral interfaces at the atomic level

    Article • Geochimica et Cosmochimica Acta, August 2006, Elsevier

    Dr Dean C Sayle

  44. Atomistic Models and Molecular Dynamics

    Article • July 2006, Wiley

    Dr Dean C Sayle

  45. Converting Ceria Polyhedral Nanoparticles into Single-Crystal Nanospheres

    Article • Science, June 2006, American Association for the Advancement of Science

    Dr Dean C Sayle

  46. Ionic conductivity in nano-scale CeO2/YSZ heterolayers

    Article • Journal of Materials Chemistry, January 2006, Royal Society of Chemistry

    Dr Dean C Sayle

  47. Generating MnO 2 Nanoparticles Using Simulated Amorphization and Recrystallization

    Article • Journal of the American Chemical Society, September 2005, American Chemical Society (ACS)

    Dr Dean C Sayle

  48. Ethylbenzene dehydrogenation on Fe2O3-Cr2O3-K2CO3 catalysts promoted with transitional metal oxides

    Article • Applied Catalysis A General, June 2005, Elsevier

    Dr Dean C Sayle

  49. Density functional theory studies of the structure and electronic structure of pure and defective low index surfaces of ceria

    Article • Surface Science, February 2005, Elsevier

    Dr Dean C Sayle

  50. Oxidising CO to CO2 using ceria nanoparticles

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

    Dr Dean C Sayle

  51. Computer aided design of nano-structured materials with tailored ionic conductivities

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

    Dr Dean C Sayle

  52. The influence of a material microstructure on the behaviour of dopants

    Article • Journal of Materials Chemistry, January 2004, Royal Society of Chemistry

    Dr Dean C Sayle

  53. Shape of CeO2 nanoparticles using simulated amorphisation and recrystallisation

    Article • Chemical Communications, January 2004, Royal Society of Chemistry

    Dr Dean C Sayle

  54. Encapsulated Oxide Nanoparticles:  The Influence of the Microstructure on Associated Impurities within a Material

    Article • Journal of the American Chemical Society, July 2003, American Chemical Society (ACS)

    Dr Dean C Sayle

  55. Evolutionary techniques in atomistic simulation: thin films and nanoparticles

    Article • Current Opinion in Solid State and Materials Science, February 2003, Elsevier

    Professor Roy L Johnston, Dr Dean C Sayle

  56. Metal oxide encapsulated nanoparticles

    Article • Journal of Materials Chemistry, January 2003, Royal Society of Chemistry

    Dr Dean C Sayle

  57. Synthesis, structure and ionic conductivity in nanopolycrystalline BaF2/CaF2 heterolayersElectronic supplementary information (ESI) available: potential parameters and pertinent calculated physical properties for the perfect BaF2 and CaF2. See http://w...

    Article • Chemical Communications, January 2003, Royal Society of Chemistry

    Dr Dean C Sayle

  58. Atomistic Structures of 25 000-Atom Oxide Nanoparticles Supported on an Oxide Substrate

    Article • The Journal of Physical Chemistry, October 2002, American Chemical Society (ACS)

    Dr Dean C Sayle

  59. Synthesis of a BaO thin film supported on MgO(001) using a shell-model amorphisation and recrystallisation strategy

    Article • Physical Chemistry Chemical Physics, September 2002, Royal Society of Chemistry

    Dr Dean C Sayle

  60. Atomistic Models for CeO 2 (111), (110), and (100) Nanoparticles, Supported on Yttrium-Stabilized Zirconia

    Article • Journal of the American Chemical Society, September 2002, American Chemical Society (ACS)

    Dr Dean C Sayle

  61. Atomistic structure of oxide nanoparticles supported on an oxide substrate

    Article • June 2002, American Physical Society (APS)

    Dr Dean C Sayle

  62. Modelling oxide thin films

    Article • Molecular Simulation, June 2002, Taylor & Francis

    Dr Dean C Sayle, Dr Ben Slater

  63. Inducing Polycrystallinity within Supported Oxide Thin Films Using Template Buffer Layers

    Article • The Journal of Physical Chemistry, April 2002, American Chemical Society (ACS)

    Dr Dean C Sayle

  64. The Atomistic Structure of an MgO Cluster, Supported on BaO, Synthesized Using Simulated Amorphization and Recrystallization

    Article • The Journal of Physical Chemistry, April 2002, American Chemical Society (ACS)

    Dr Dean C Sayle

  65. Structural Characterization of the CeO 2 /YSZ(111) Catalytic System Synthesized Using Simulated Amorphization and Recrystallization

    Article • The Journal of Physical Chemistry, December 2001, American Chemical Society (ACS)

    Dr Dean C Sayle

  66. The Atomistic Structures of MgO/SrTiO 3 (001) and BaO/SrTiO 3 (001) Using Simulated Amorphization and Recrystallization

    Article • The Journal of Physical Chemistry, June 2001, American Chemical Society (ACS)

    Dr Dean C Sayle

  67. Structural exploration of thin-film oxide interfaces via ‘simulated amorphisation and recrystallisation’

    Article • Surface Science, February 2001, Elsevier

    Dr Dean C Sayle

  68. Evolution and atomistic structure of dislocations defects and clusters within CeO2 supported on ZrO2

    Article • Chemical Communications, January 2001, Royal Society of Chemistry

    Dr Dean C Sayle

  69. Dislocations, lattice slip, defects and rotated domains: The effect of a lattice misfit on supported thin-film metal oxides

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

    Dr Dean C Sayle

  70. Simulated amorphisation and recrystallisation: nanocrystallites within meso-scale supported oxides

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

    Dr Dean C Sayle

  71. 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

  72. 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

  73. Strain reduction in supported materials; the formation of cracks and dislocations

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

    Dr Dean C Sayle

  74. The predicted 3-D atomistic structure of an interfacial screw–edge dislocation

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

    Dr Dean C Sayle

  75. A refined model for the active site within the NO decomposition catalyst, Cu-ZSM-5

    Article • Microporous and Mesoporous Materials, March 1998, Elsevier

    Dr Dean C Sayle

  76. Structure, epitaxial growth and nucleation of CaO/SrO interfaces using energy minimisation, molecular dynamics and computer graphics

    Article • Journal of Materials Chemistry, January 1998, Royal Society of Chemistry

    Dr Dean C Sayle

  77. An Introduction to Molecular Heterogeneous Catalysis

    Article • January 1998, Springer Science + Business Media

    Dr Dean C Sayle

  78. NaCl clusters on MgO(001): A model system to explore interfacial crystal growth, nucleation, and grain-boundary formation

    Article • December 1997, American Physical Society (APS)

    Dr Dean C Sayle

  79. Computer Modeling of the Active-Site Configurations within the NO Decomposition Catalyst Cu-ZSM-5

    Article • The Journal of Physical Chemistry A, May 1997, American Chemical Society (ACS)

    Dr Dean C Sayle

  80. Copper clusters in mordenite. A direct structural comparison with the NO decomposition catalyst Cu-ZSM-5

    Article • Journal of Materials Chemistry, January 1997, Royal Society of Chemistry

    Dr Dean C Sayle

  81. Active site configurations within the NO decomposition catalyst, Cu-ZSM-5; the role of framework aluminium

    Article • Journal of Materials Chemistry, January 1997, Royal Society of Chemistry

    Dr Dean C Sayle

  82. Computer Simulation of Structural, Defect and Surface Properties of Solids

    Article • January 1997, Springer Science + Business Media

    Dr Dean C Sayle

  83. Simulating the structures of crystals and their surfaces

    Article • Topics in Catalysis, May 1996, Springer Science + Business Media

    Dr Dean C Sayle

  84. Computer modelling of V2O5: surface structures, crystal morphology and ethene sorption

    Article • Journal of Materials Chemistry, January 1996, Royal Society of Chemistry

    Dr Dean C Sayle

  85. Computer Modeling of the V 2 O 5 /TiO 2 Interface

    Article • The Journal of Physical Chemistry, January 1996, American Chemical Society (ACS)

    Dr Dean C Sayle

  86. The stability of defects in the ceramic interfaces, and

    Article • Surface Science, July 1995, Elsevier

    Dr Dean C Sayle

  87. Simulation study of copper(I) and copper(II) species in ZSM-5 zeolite

    Article • Journal of the Chemical Society Chemical Communications, January 1995, Royal Society of Chemistry

    Dr Dean C Sayle

  88. Effect of defects on the stability of heteroepitaxial ceramic interfaces studied by computer simulation

    Article • November 1994, American Physical Society (APS)

    Dr Dean C Sayle

  89. The role of oxygen vacancies on ceria surfaces in the oxidation of carbon monoxide

    Article • Surface Science, September 1994, Elsevier

    Dr Dean C Sayle

  90. Accommodation of the misfit strain energy in the BaO(100)/MgO(100) heteroepitaxial ceramic interface using computer simulation techniques

    Article • Journal of Materials Chemistry, January 1994, Royal Society of Chemistry

    Dr Dean C Sayle

  91. Computer simulation of thin film heteroepitaxial ceramic interfaces using a near-coincidence-site lattice theory

    Article • Philosophical Magazine A, September 1993, Taylor & Francis

    Dr Dean C Sayle

  92. Computer Simulation of Surface Segregation

    Article • Molecular Simulation, January 1992, Taylor & Francis

    Dr Dean C Sayle

  93. Computer Simulation of Hydrocarbons in Zeolites

    Article • January 1989, Elsevier

    Dr Dean C Sayle