All Stories

  1. Functionalized Nanodiamonds for Biological and Medical Applications

    Article • Journal of Nanoscience and Nanotechnology, February 2015, American Scientific Publishers

    Professor Amanda S Barnard

  2. Impact of distributions on the photocatalytic performance of anatase nanoparticle ensembles

    Article • Journal of Materials Chemistry A, January 2015, Royal Society of Chemistry

    Professor Amanda S Barnard

  3. Impact of distributions and mixtures on the charge transfer properties of graphene nanoflakes

    Article • Nanoscale, January 2015, Royal Society of Chemistry

    Professor Amanda S Barnard, Dr Manolo C Per

  4. Using structural diversity to tune the catalytic performance of Pt nanoparticle ensembles

    Article • Catalysis Science & Technology, January 2015, Royal Society of Chemistry

    Professor Amanda S Barnard

  5. Anisotropic adsorption and distribution of immobilized carboxyl on nanodiamond

    Article • Nanoscale, October 2014, Royal Society of Chemistry

    Professor Amanda S Barnard

  6. Size and shape dependent deprotonation potential and proton affinity of nanodiamond

    Article • Nanotechnology, October 2014, Institute of Physics Publishing

    Professor Amanda S Barnard, Dr Manolo C Per

  7. Shape dependence of the band gaps in luminescent silicon quantum dots

    Article • Journal of Materials Chemistry C, October 2014, Royal Society of Chemistry

    Professor Amanda S Barnard

  8. Contrasting Effects of Nanoparticle Binding on Protein Denaturation

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

    Professor Amanda S Barnard, Dr Pu Chun Ke, Professor Dave A Winkler

  9. Thermodynamic Control of Halogen-Terminated Silicon Nanoparticle Morphology

    Article • Crystal Growth & Design, September 2014, American Chemical Society (ACS)

    Professor Amanda S Barnard

  10. Molecular ionization and deprotonation energies as indicators of functional coating performance

    Article • Journal of Materials Chemistry A, August 2014, Royal Society of Chemistry

    Professor Amanda S Barnard, Dr Manolo C Per

  11. In Silico Veritas

    Article • ACS Nano, July 2014, American Chemical Society (ACS)

    Professor Amanda S Barnard

  12. Predictive Morphology Control of Hydrogen-Terminated Silicon Nanoparticles

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

    Professor Amanda S Barnard

  13. The impact of structural polydispersivity on the surface electrostatic potential of nanodiamond

    Article • Nanoscale, January 2014, Royal Society of Chemistry

    Professor Amanda S Barnard

  14. Optimal vacancy concentrations to maximize the N–V yield in nanodiamonds

    Article • Materials Horizons, January 2014, Royal Society of Chemistry

    Professor Amanda S Barnard

  15. Clarifying stability, probability and population in nanoparticle ensembles

    Article • Nanoscale, January 2014, Royal Society of Chemistry

    Professor Amanda S Barnard

  16. Activity of ZnO polar surfaces: an insight from surface energies

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

    Professor Amanda S Barnard

  17. CHAPTER 1. Distribution, Diffusion and Concentration of Defects in Colloidal Diamond

    Article • January 2014, Royal Society of Chemistry

    Professor Amanda S Barnard

  18. Modeling the Impact of Alkanethiol SAMs on the Morphology of Gold Nanocrystals

    Article • Crystal Growth & Design, December 2013, American Chemical Society (ACS)

    Professor Amanda S Barnard

  19. Relative Stability of Graphene Nanoflakes Under Environmentally Relevant Conditions

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

    Professor Amanda S Barnard

  20. Harnessing the Influence of Reactive Edges and Defects of Graphene Substrates for Achieving Complete Cycle of Room‐Temperature Molecular Sensing

    Article • Small, July 2013, Wiley

    Kostya (Ken) Ostrikov, Professor Amanda S Barnard

  21. Modeling polydispersive ensembles of diamond nanoparticles

    Article • Nanotechnology, February 2013, Institute of Physics Publishing

    Professor Amanda S Barnard

  22. Diamond nanoparticles as a new platform for the sequestration of waste carbon

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Professor Amanda S Barnard

  23. Site-dependent stability and electronic structure of single vacancy point defects in hexagonal graphene nano-flakes

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Professor Amanda S Barnard

  24. Can hematite nanoparticles be an environmental indicator?

    Article • Energy & Environmental Science, January 2013, Royal Society of Chemistry

    Professor Amanda S Barnard

  25. Mapping the structural and optical properties of anisotropic gold nanoparticles

    Article • Journal of Materials Chemistry C, January 2013, Royal Society of Chemistry

    Professor Amanda S Barnard

  26. Naturally occurring iron oxide nanoparticles: morphology, surface chemistry and environmental stability

    Article • Journal of Materials Chemistry A, January 2013, Royal Society of Chemistry

    Professor Amanda S Barnard

  27. Modeling Gas Adsorption on Carbon Nanotubes

    Article • November 2012, Taylor & Francis

    Professor Amanda S Barnard

  28. Environmentally dependent stability of low-index hematite surfaces

    Article • Journal of Colloid and Interface Science, November 2012, Elsevier

    Professor Amanda S Barnard

  29. Direct Comparison of Kinetic and Thermodynamic Influences on Gold Nanomorphology

    Article • Accounts of Chemical Research, October 2012, American Chemical Society (ACS)

    Professor Amanda S Barnard

  30. Correction to “Surface Structure and Environment-Dependent Hydroxylation of the Nonpolar Hematite (100) from Density Functional Theory Modeling”

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

    Professor Amanda S Barnard

  31. Modeling Nanomorphology in Noble Metal Particles: Thermodynamic Cartography

    Article • June 2012, Wiley

    Professor Amanda S Barnard

  32. Stability of Porous Platinum Nanoparticles: Combined In Situ TEM and Theoretical Study

    Article • The Journal of Physical Chemistry Letters, May 2012, American Chemical Society (ACS)

    Professor Amanda S Barnard

  33. Interparticle Interactions and Self-Assembly of Functionalized Nanodiamonds

    Article • The Journal of Physical Chemistry Letters, April 2012, American Chemical Society (ACS)

    Professor Amanda S Barnard

  34. Modelling the role of size, edge structure and terminations on the electronic properties of trigonal graphene nanoflakes

    Article • Nanotechnology, January 2012, Institute of Physics Publishing

    Professor Amanda S Barnard

  35. Size- and shape-dependent phase transformations in wurtzite ZnS nanostructures

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Professor Amanda S Barnard

  36. Modelling of the reactivity and stability of carbon nanotubes under environmentally relevant conditions

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Professor Amanda S Barnard

  37. Modelling nanoscale cubic ZnS morphology and thermodynamic stability under sulphur-rich conditions

    Article • CrystEngComm, January 2012, Royal Society of Chemistry

    Professor Amanda S Barnard

  38. Quantum mechanical properties of graphene nano-flakes and quantum dots

    Article • Nanoscale, January 2012, Royal Society of Chemistry

    Professor Amanda S Barnard

  39. Surface phase diagram and thermodynamic stability of functionalisation of nanodiamonds

    Article • Journal of Materials Chemistry, January 2012, Royal Society of Chemistry

    Professor Amanda S Barnard

  40. Nanodiamond for hydrogen storage: Temperature-dependent hydrogenation and charge-induced dehydrogenation

    Article • Nanoscale, January 2012, Royal Society of Chemistry

    Professor Amanda S Barnard

  41. Ripple induced changes in the wavefunction of graphene: an example of a fundamental symmetry breaking

    Article • Nanoscale, January 2012, Royal Society of Chemistry

    Professor Amanda S Barnard

  42. Modelling polar wurtzite ZnS nanoparticles: the effect of sulphur supersaturation on size- and shape-dependent phase transformations

    Article • Journal of Materials Chemistry, January 2012, Royal Society of Chemistry

    Professor Amanda S Barnard

  43. Charge-induced restructuring and decomposition of bucky-diamonds

    Article • Journal of Materials Chemistry, January 2012, Royal Society of Chemistry

    Professor Amanda S Barnard

  44. Mapping the shape and phase of palladium nanocatalysts

    Article • Catalysis Science & Technology, January 2012, Royal Society of Chemistry

    Professor Amanda S Barnard

  45. Surface phase diagram of hematite pseudocubes in hydrous environments

    Article • Journal of Materials Chemistry, January 2012, Royal Society of Chemistry

    Professor Amanda S Barnard

  46. Stability of Diamond at the Nanoscale

    Article • January 2012, Elsevier

    Professor Amanda S Barnard

  47. Chapter 9. Thermodynamic Cartography and Structure-Property Mapping of Potential Nano-Hazards

    Article • January 2012, Royal Society of Chemistry

    Professor Amanda S Barnard

  48. Surface Structure and Environment-Dependent Hydroxylation of the Nonpolar Hematite (100) from Density Functional Theory Modeling

    Article • The Journal of Physical Chemistry C, November 2011, American Chemical Society (ACS)

    Professor Amanda S Barnard

  49. Modelling the role of size, edge structure and terminations on the electronic properties of graphene nano-flakes

    Article • Modelling and Simulation in Materials Science and Engineering, June 2011, Institute of Physics Publishing

    Professor Amanda S Barnard

  50. Stability of Nanodiamond Surfaces Exposed to N, NH, and NH 2

    Article • The Journal of Physical Chemistry C, April 2011, American Chemical Society (ACS)

    Professor Amanda S Barnard

  51. Atomistic Simulation and Measurement of pH Dependent Cancer Therapeutic Interactions with Nanodiamond Carrier

    Article • Molecular Pharmaceutics, April 2011, American Chemical Society (ACS)

    Professor Amanda S Barnard

  52. Modeling the iron oxides and oxyhydroxides for the prediction of environmentally sensitive phase transformations

    Article • Physical Review B, March 2011, American Physical Society (APS)

    Professor Amanda S Barnard

  53. Thermodynamic Cartography and Structure/Property Mapping of Commercial Platinum Catalysts

    Article • ACS Catalysis, February 2011, American Chemical Society (ACS)

    Professor Amanda S Barnard

  54. ChemInform Abstract: Size-Dependent Phase Transitions and Phase Reversal at the Nanoscale

    Article • ChemInform, January 2011, Wiley

    Professor Amanda S Barnard

  55. Surface Area Limited Model for Predicting Anisotropic Coarsening of Faceted Nanoparticles

    Article • Crystal Growth & Design, January 2011, American Chemical Society (ACS)

    Professor Amanda S Barnard

  56. Proton transfer in the hydrogen-bonded chains of lepidocrocite: a computational study

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

    Professor Amanda S Barnard

  57. Mapping the photocatalytic activity or potential free radical toxicity of nanoscale titania

    Article • Energy & Environmental Science, January 2011, Royal Society of Chemistry

    Professor Amanda S Barnard

  58. Modeling the thermostability of surface functionalisation by oxygen, hydroxyl, and water on nanodiamonds

    Article • Nanoscale, January 2011, Royal Society of Chemistry

    Professor Amanda S Barnard

  59. Thermodynamic modelling of nanomorphologies of hematite and goethite

    Article • Journal of Materials Chemistry, January 2011, Royal Society of Chemistry

    Professor Amanda S Barnard

  60. Confirmation of the electrostatic self-assembly of nanodiamonds

    Article • Nanoscale, January 2011, Royal Society of Chemistry

    Professor Amanda S Barnard

  61. Kinetic modelling of the shape-dependent evolution of faceted gold nanoparticles

    Article • Journal of Materials Chemistry, January 2011, Royal Society of Chemistry

    Professor Amanda S Barnard

  62. Useful equations for modeling the relative stability of common nanoparticle morphologies

    Article • Computer Physics Communications, January 2011, Elsevier

    Professor Amanda S Barnard

  63. Resolving the Structure of Active Sites on Platinum Catalytic Nanoparticles

    Article • Nano Letters, August 2010, American Chemical Society (ACS)

    Professor Amanda S Barnard

  64. Modelling of nanoparticles: approaches to morphology and evolution

    Article • Reports on Progress in Physics, July 2010, Institute of Physics Publishing

    Professor Amanda S Barnard

  65. Observation and control of blinking nitrogen-vacancy centres in discrete nanodiamonds

    Article • Nature Nanotechnology, April 2010, Springer Science + Business Media

    Professor Amanda S Barnard

  66. One-to-one comparison of sunscreen efficacy, aesthetics and potential nanotoxicity

    Article • Nature Nanotechnology, March 2010, Springer Science + Business Media

    Professor Amanda S Barnard

  67. Size- and shape-dependence of the graphene to graphane transformation in the absence of hydrogen

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

    Professor Amanda S Barnard

  68. Origin of nanomorphology: does a complete theory of nanoparticle evolution exist?

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

    Professor Amanda S Barnard

  69. Shape-Dependent Confinement of the Nanodiamond Band Gap

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

    Professor Amanda S Barnard

  70. Prediction and Measurement of the Size-Dependent Stability of Fluorescence in Diamond over the Entire Nanoscale

    Article • Nano Letters, October 2009, American Chemical Society (ACS)

    Professor Amanda S Barnard

  71. Nanogold: A Quantitative Phase Map

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

    Professor Amanda S Barnard

  72. Partnerships for sustainable nanotechnology

    Article • Materials Today, June 2009, Elsevier

    Professor Amanda S Barnard

  73. How can ab initio simulations address risks in nanotech?

    Article • Nature Nanotechnology, June 2009, Springer Science + Business Media

    Professor Amanda S Barnard

  74. Modelling the relative stability of carbon nanotubes exposed to environmental adsorbates and air

    Article • Journal of Physics Condensed Matter, March 2009, Institute of Physics Publishing

    Professor Amanda S Barnard

  75. Thermodynamic stability and electronic structure of small carbon nitride nanotubes

    Article • Journal of Physics Condensed Matter, March 2009, Institute of Physics Publishing

    Professor Amanda S Barnard

  76. Modeling the environmental stability of FeS 2 nanorods, using lessons from biomineralization

    Article • Nanotechnology, February 2009, Institute of Physics Publishing

    Professor Amanda S Barnard

  77. Nanodiamond Photoemitters Based on Strong Narrow-Band Luminescence from Silicon-Vacancy Defects

    Article • Advanced Materials, February 2009, Wiley

    Professor Amanda S Barnard

  78. Diamond standard in diagnostics: nanodiamond biolabels make their mark

    Article • The Analyst, January 2009, Royal Society of Chemistry

    Professor Amanda S Barnard

  79. Computational strategies for predicting the potential risks associated with nanotechnology

    Article • Nanoscale, January 2009, Royal Society of Chemistry

    Professor Amanda S Barnard

  80. An Environmentally Sensitive Phase Map of Titania Nanocrystals

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

    Professor Amanda S Barnard

  81. Thermal stability of graphene edge structure and graphene nanoflakes

    Article • The Journal of Chemical Physics, March 2008, American Institute of Physics

    Professor Amanda S Barnard

  82. Shape, Orientation, and Stability of Twinned Gold Nanorods

    Article • The Journal of Physical Chemistry C, February 2008, American Chemical Society (ACS)

    Professor Amanda S Barnard

  83. Self-assembly in nanodiamond agglutinates

    Article • Journal of Materials Chemistry, January 2008, Royal Society of Chemistry

    Professor Amanda S Barnard

  84. ZnO nanowires and nanobelts: Shape selection and thermodynamic modeling

    Article • Applied Physics Letters, April 2007, American Institute of Physics

    Professor Amanda S Barnard

  85. Crystallinity and surface electrostatics of diamond nanocrystals

    Article • Journal of Materials Chemistry, January 2007, Royal Society of Chemistry

    Professor Amanda S Barnard

  86. Bonding and structure in BxNy nanotubes (x,y = 1,2)

    Article • Journal of Materials Chemistry, January 2007, Royal Society of Chemistry

    Professor Amanda S Barnard

  87. Mapping the location and configuration of nitrogen in diamond nanoparticles

    Article • Nanotechnology, December 2006, Institute of Physics Publishing

    Professor Amanda S Barnard

  88. A Thermodynamic Model for the Shape and Stability of Twinned Nanostructures

    Article • The Journal of Physical Chemistry, December 2006, American Chemical Society (ACS)

    Professor Amanda S Barnard

  89. Modelling the formation of high aspect CdSe quantum wires: axial-growth versus oriented-attachment mechanisms

    Article • Nanotechnology, November 2006, Institute of Physics Publishing

    Professor Amanda S Barnard

  90. Substitutional Boron in Nanodiamond, Bucky-Diamond, and Nanocrystalline Diamond Grain Boundaries

    Article • The Journal of Physical Chemistry, October 2006, American Chemical Society (ACS)

    Professor Amanda S Barnard

  91. Predicting the Shape and Structure of Face-Centered Cubic Gold Nanocrystals Smaller than 3 nm

    Article • ChemPhysChem, July 2006, Wiley

    Professor Amanda S Barnard

  92. Modelling the effect of particle shape on the phase stability of ZrO 2 nanoparticles

    Article • Nanotechnology, June 2006, Institute of Physics Publishing

    Professor Amanda S Barnard

  93. Nanohazards: Knowledge is our first defence

    Article • Nature Materials, April 2006, Springer Science + Business Media

    Professor Amanda S Barnard

  94. Using theory and modelling to investigate shape at the nanoscale

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

    Professor Amanda S Barnard

  95. Stability of Nanodiamond

    Article • January 2006, Elsevier

    Professor Amanda S Barnard

  96. Carbon Family at the Nanoscale

    Article • January 2006, Elsevier

    Professor Amanda S Barnard

  97. Equilibrium Morphology of Face-Centered Cubic Gold Nanoparticles >3 nm and the Shape Changes Induced by Temperature

    Article • The Journal of Physical Chemistry, December 2005, American Chemical Society (ACS)

    Professor Amanda S Barnard

  98. Substitutional Nitrogen in Nanodiamond and Bucky-Diamond Particles

    Article • The Journal of Physical Chemistry, September 2005, American Chemical Society (ACS)

    Professor Amanda S Barnard

  99. Prediction of TiO 2 Nanoparticle Phase and Shape Transitions Controlled by Surface Chemistry

    Article • Nano Letters, July 2005, American Chemical Society (ACS)

    Professor Amanda S Barnard

  100. Controlled Evolution of Carbon Nanotubes Coated by Nanodiamond:  the Realization of a New Class of Hybrid Nanomaterials

    Article • Chemistry of Materials, June 2005, American Chemical Society (ACS)

    Professor Amanda S Barnard, Dr Emanuela Tamburri, Professor Marco Rossi

  101. Anatase and rutile surfaces with adsorbates representative of acidic and basic conditions

    Article • Surface Science, May 2005, Elsevier

    Professor Amanda S Barnard

  102. Shaping Nanometer-Scale Architecture Through Surface Chemistry

    Article • Advanced Materials, April 2005, Wiley

    Professor Amanda S Barnard

  103. Predicting the Energetics, Phase Stability, and Morphology Evolution of Faceted and Spherical Anatase Nanocrystals

    Article • ChemInform, February 2005, Wiley

    Professor Amanda S Barnard

  104. Modeling the Morphology and Phase Stability of TiO 2 Nanocrystals in Water

    Article • Journal of Chemical Theory and Computation, January 2005, American Chemical Society (ACS)

    Professor Amanda S Barnard

  105. Effects of particle morphology and surface hydrogenation on the phase stability of Ti O 2

    Article • Physical Review B, December 2004, American Physical Society (APS)

    Professor Amanda S Barnard

  106. Structural relaxation and relative stability of nanodiamond morphologies

    Article • Diamond and Related Materials, October 2003, Elsevier

    Professor Amanda S Barnard

  107. Ab Initio Modeling of Diamond Nanowire Structures

    Article • Nano Letters, October 2003, American Chemical Society (ACS)

    Professor Amanda S Barnard

  108. Coexistence of bucky diamond with nanodiamond and fullerene carbon phases

    Article • August 2003, American Physical Society (APS)

    Professor Amanda S Barnard

  109. Structure and Energetics of Single-Walled Armchair and Zigzag Silicon Nanotubes

    Article • The Journal of Physical Chemistry, August 2003, American Chemical Society (ACS)

    Professor Amanda S Barnard

  110. Ab initio modelling of boron and nitrogen in diamond nanowires

    Article • The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics, July 2003, Taylor & Francis

    Professor Amanda S Barnard

  111. Ab initio modelling of dopants in diamond nanowires: Ii

    Article • The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics, July 2003, Taylor & Francis

    Professor Amanda S Barnard

  112. Size dependent phase stability of carbon nanoparticles: Nanodiamond versus fullerenes

    Article • The Journal of Chemical Physics, March 2003, American Institute of Physics

    Professor Amanda S Barnard

  113. Ab initiomodelling of band states in doped diamond

    Article • The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics, January 2003, Taylor & Francis

    Professor Amanda S Barnard