Search filters

List of works by Amanda Barnard

A model for the phase stability of arbitrary nanoparticles as a function of size and shape.

scientific article published in September 2004

A thermodynamic model for the shape and stability of twinned nanostructures.

scientific article published in December 2006

Activity of ZnO polar surfaces: an insight from surface energies

article

An Environmentally Sensitive Phase Map of Titania Nanocrystals

article by Amanda Barnard & Huifang Xu published 7 November 2008 in ACS Nano

Anisotropic adsorption and distribution of immobilized carboxyl on nanodiamond

Artificial neural network analysis of the catalytic efficiency of platinum nanoparticles

scholarly article by Michael Fernandez et al published 2017 in RSC Advances

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

article

Bias-Free Chemically Diverse Test Sets from Machine Learning

scientific article published on 19 July 2017

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

Bucky-wires and the instability of diamond (111) surfaces in one-dimension

scientific article published in January 2004

Can hematite nanoparticles be an environmental indicator?

Catalytic potential of highly defective (211) surfaces of zinc blende ZnO.

scientific article published on 2 October 2015

Causal Paths Allowing Simultaneous Control of Multiple Nanoparticle Properties Using Multi‐Target Bayesian Inference

scientific article published in 2022

Challenges in modelling nanoparticles for drug delivery

scientific article published on 18 December 2015

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

scientific article published in 2012

Charge-induced restructuring and decomposition of bucky-diamonds

article

Clarifying stability, probability and population in nanoparticle ensembles

scientific article published in September 2014

Computational strategies for predicting the potential risks associated with nanotechnology

scientific article

Confirmation of the electrostatic self-assembly of nanodiamonds

Contrasting Effects of Nanoparticle Binding on Protein Denaturation

article published in 2014

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

scholarly article published in Journal of Physical Chemistry C

Correlating anisotropy and disorder with the surface structure of platinum nanoparticles

Counting vacancies and nitrogen-vacancy centers in detonation nanodiamond.

scientific article published on 05 May 2016

Creation and luminescence of size-selected gold nanorods

scientific article published on 6 July 2012

Crystallinity and surface electrostatics of diamond nanocrystals

article by Amanda Barnard & Michael Sternberg published 2007 in Journal of Materials Chemistry

Data-driven causal inference of process-structure relationships in nanocatalysis

scientific article published in 2022

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

scientific article

Diamond standard in diagnostics: nanodiamond biolabels make their mark

scientific article published on 02 July 2009

Direct Comparison of Kinetic and Thermodynamic Influences on Gold Nanomorphology ⬇️

scientific article published on June 15, 2012

Dynamic evolution of specific catalytic sites on Pt nanoparticles

scholarly article

Dynamic self-assembly of detonation nanodiamond in water

scientific article published on 26 February 2020

Efficient protocol for quantum Monte Carlo calculations of hydrogen abstraction barriers: Application to methanol

Environmentally dependent stability of low-index hematite surfaces

article

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

scientific article published on 01 December 2005

First Principles and Thermodynamic Modeling of CdS Surfaces and Nanorods

article by Amanda Barnard & Huifang Xu published December 2007 in Journal of Physical Chemistry C

First-Principles Modeling of Dopants in C29and C29H24Nanodiamonds

scientific article published on 01 June 2005

From Process to Properties: Correlating Synthesis Conditions and Structural Disorder of Platinum Nanocatalysts

Functionalized Nanodiamonds for Biological and Medical Applications

scientific article published on February 2015

Geometrical Properties Can Predict CO2 and N2 Adsorption Performance of Metal-Organic Frameworks (MOFs) at Low Pressure

scientific article

Geometrical features can predict electronic properties of graphene nanoflakes

scholarly article in Carbon, vol. 103, July 2016

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

scientific article published in July 2013

Heterogeneous PEGylation of diamond nanoparticles

article

How can ab initio simulations address risks in nanotech?

Hybrid carbon nanotube/nanodiamond structures as electron emitters for cold cathodes.

scientific article

Identification of Nanoparticle Prototypes and Archetypes

scientific article published on 17 November 2015

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

scientific article published in February 2015

Impact of distributions on the archetypes and prototypes in heterogeneous nanoparticle ensembles.

scientific article published on 19 December 2016

Impact of distributions on the photocatalytic performance of anatase nanoparticle ensembles

scholarly article by Amanda Barnard published 2015 in Journal of Materials Chemistry A

Impact of speciation on the electron charge transfer properties of nanodiamond drug carriers

scientific article published on 12 July 2016

In silico veritas

scientific article published on July 2014

Interparticle Interactions and Self-Assembly of Functionalized Nanodiamonds

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

article

Machine Learning Prediction of the Energy Gap of Graphene Nanoflakes Using Topological Autocorrelation Vectors

scientific article

Machine Learning for Silver Nanoparticle Electron Transfer Property Prediction.

scientific article published on 22 September 2017

Machine learning and genetic algorithm prediction of energy differences between electronic calculations of graphene nanoflakes

scientific article

Machine learning reveals multiple classes of diamond nanoparticles

scientific article published on 25 August 2020

Mapping the location and configuration of nitrogen in diamond nanoparticles

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

article

Mapping the shape and phase of palladium nanocatalysts

scholarly article by Amanda Barnard published 2012 in Catalysis Science & Technology

Mapping the structural and optical properties of anisotropic gold nanoparticles

article published in 2013

Modeling corrosion inhibition efficacy of small organic molecules as non-toxic chromate alternatives using comparative molecular surface analysis (CoMSA).

scientific article published on 27 June 2016

Modeling polydispersive ensembles of diamond nanoparticles ⬇️

scientific article published in February 2013

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

scientific article published in November 2013

Modeling the Morphology and Phase Stability of TiO2Nanocrystals in Water

article

Modeling the environmental stability of FeS2 nanorods, using lessons from biomineralization

scientific article published on 25 February 2009

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

article

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

article

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

article

Modelling of the nanoscale

scientific article published in February 2012

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

scientific article published on May 10, 2012

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

article published in 2012

Modelling the effect of particle shape on the phase stability of ZrO2nanoparticles

article published in 2006

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

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

scientific article

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

scholarly article by Amanda Barnard & Ian K Snook published 23 June 2011 in Modelling and Simulation in Materials Science and Engineering

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

scientific article published on February 2012

Molecular ionization and deprotonation energies as indicators of functional coating performance

Morphological and phase stability of zinc blende, amorphous and mixed core–shell ZnS nanoparticles

scientific article published on 02 September 2010

Morphology of Zinc Oxide Nanoparticles and Nanowires: Role of Surface and Edge Energies

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

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

scientific article published in 2012

Nanogold: A Quantitative Phase Map

scientific article published on 01 June 2009

Nanohazards: knowledge is our first defence.

scientific article

Nanoinformatics, and the big challenges for the science of small things

scientific article published on 09 August 2019

Nanoscale locomotion without fuel

scientific article published in Nature

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

article by Haibo Guo & Amanda Barnard published 2013 in Journal of Materials Chemistry A

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

scientific article published on 11 April 2010

On reverse Monte Carlo constraints and model reproduction

scientific article published on 10 April 2017

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

scientific article

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

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

article by Alireza Seyed-Razavi et al published 2010 in Journal of Materials Chemistry

Phase stability of nanocarbon in one dimension: Nanotubes versus diamond nanowires

article

Phenol-Modified Silicene: Preferred Substitution Site and Electronic Properties

PorosityPlus: characterisation of defective, nanoporous and amorphous materials

Predicting archetypal nanoparticle shapes using a combination of thermodynamic theory and machine learning

scientific article published on 01 November 2018

Predicting structure/property relationships in multi-dimensional nanoparticle data using t-distributed stochastic neighbour embedding and machine learning

scientific article published on 28 November 2019

Predicting the impact of structural diversity on the performance of nanodiamond drug carriers

scientific article published on 01 May 2018

Predicting the role of seed morphology in the evolution of anisotropic nanocatalysts

scientific article published on 9 January 2017

Predicting the shape and structure of face-centered cubic gold nanocrystals smaller than 3 nm.

scientific article

Prediction and measurement of the size-dependent stability of fluorescence in diamond over the entire nanoscale

scientific article published in October 2009

Prediction of TiO2Nanoparticle Phase and Shape Transitions Controlled by Surface Chemistry

scientific article published on 01 July 2005

Predictive Morphology Control of Hydrogen-Terminated Silicon Nanoparticles

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

scientific article published on September 9, 2011

Quantitative Structure-Property Relationship Modeling of Electronic Properties of Graphene Using Atomic Radial Distribution Function Scores

scientific article

Quantum mechanical properties of graphene nano-flakes and quantum dots

scholarly article by Hongqing Shi et al published 2012 in Nanoscale

Relative Stability of Graphene Nanoflakes Under Environmentally Relevant Conditions

scientific article published on 11 July 2013

Resolving the Structure of Active Sites on Platinum Catalytic Nanoparticles

scientific article published on 01 August 2010

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

scientific article published in 2012

Self-assembly in nanodiamond agglutinates

Shape dependence of the band gaps in luminescent silicon quantum dots

scientific article published on 7 October 2014

Shape-Dependent Confinement of the Nanodiamond Band Gap

Simulating facet-dependent aggregation and assembly of distributions of polyhedral nanoparticles

scientific article published on 25 September 2020

Simulating nano-carbon materials

article

Simulation and bonding of dopants in nanocrystalline diamond.

scientific article

Site-dependent atomic and molecular affinities of hydrocarbons, amines and thiols on diamond nanoparticles

article published in 2016

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

scientific article

Size and shape dependent deprotonation potential and proton affinity of nanodiamond

scientific article published on 10 October 2014

Size dependent surface reconstruction in detonation nanodiamonds

scientific article published on 08 January 2018

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

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

scientific article published on 22 June 2012

Special Issue on Nanodiamonds

Stability of Nanodiamond Surfaces Exposed to N, NH, and NH2

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

scientific article published on 12 April 2012

Statistics, damned statistics and nanoscience – using data science to meet the challenge of nanomaterial complexity

scientific article published on 05 February 2016

Substitutional boron in nanodiamond, bucky-diamond, and nanocrystalline diamond grain boundaries.

scientific article published in October 2006

Substitutional nitrogen in nanodiamond and bucky-diamond particles

scientific article published on September 2005

Surface Area Limited Model for Predicting Anisotropic Coarsening of Faceted Nanoparticles

article

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

article

Surface phase diagram and thermodynamic stability of functionalisation of nanodiamonds

Surface phase diagram of hematite pseudocubes in hydrous environments

article published in 2012

Technology: Sharing data in materials science

scientific article

Texture based image classification for nanoparticle surface characterisation and machine learning

scholarly article published 18 September 2018

The impact of size and shape distributions on the electron charge transfer properties of silver nanoparticles

scientific article published on 22 August 2017

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

scientific article published in January 2014

The pure and representative types of disordered platinum nanoparticles from machine learning

scientific article published on 19 November 2020

Thermal stability of graphene edge structure and graphene nanoflakes

Thermodynamic Cartography and Structure/Property Mapping of Commercial Platinum Catalysts

Thermodynamic modelling of nanomorphologies of hematite and goethite

article

Thermodynamic stability and electronic structure of small carbon nitride nanotubes

scientific article

Thermodynamics of Hydrogen Adsorption and Incorporation at the ZnO(101̅0) Surface

article

Three-Dimensional Branched and Faceted Gold-Ruthenium Nanoparticles: Using Nanostructure to Improve Stability in Oxygen Evolution Electrocatalysis

scientific article published on 15 July 2018

Using hypothetical product configurators to measure consumer preferences for nanoparticle size and concentration in sunscreens

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

Using theory and modelling to investigate shape at the nanoscale

Vacancy induced formation of nanoporous silicon, carbon and silicon carbide

scientific article published in 2019

Visualising multi-dimensional structure/property relationships with machine learning

scientific article published on 14 March 2019

Water bilayers on ZnO(101̄0) surfaces: data-driven structural search

scholarly article in RSC Advances, vol. 6 no. 37, 2016

ZnO nanowires and nanobelts: Shape selection and thermodynamic modeling

Paulina is supported by:

About Paulina

Help