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Computational Characterisation of Gold Nanocluster Structures

  • Book
  • © 2013

Overview

Authors:
  1. Andrew James Logsdail

    1. Kathleen Lonsdale Materials Chemistry, D, University College London, London, United Kingdom

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  • Nominated as an Outstanding Ph.D. thesis by the University of Birmingham, UK
  • Presents a detailed analysis of structural preferences in monometallic and bimetallic gold nanoclusters
  • Characterises the optical properties of gold-based bimetallic nanoparticles with varying morphologies
  • Includes supplementary material: sn.pub/extras

Part of the book series: Springer Theses (Springer Theses)

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Table of contents (6 chapters)

  1. Front Matter

    Pages i-xvi
    Download chapter PDF

  2. Introduction

    • Andrew James Logsdail
    Pages 1-8

  3. Calculating the Structural Preference of High Symmetry Clusters for \({\text {Pd}}_{N}\), \({\text {Au}}_{N}\), and \(({\text {PdAu}})_{N}\)

    • Andrew James Logsdail
    Pages 9-38

  4. Method Development for Comparing Scanning Transmission Electron Microscope Images to Theoretical Structures

    • Andrew James Logsdail
    Pages 39-80

  5. A First-Principles Study of the Soft-Landing of \(\mathrm{{Au}}_{16}\) on Graphite

    • Andrew James Logsdail
    Pages 81-110

  6. Simulating the Optical Properties of Au Nanoclusters and Nanoalloys

    • Andrew James Logsdail
    Pages 111-152

  7. Concluding Remarks

    • Andrew James Logsdail
    Pages 153-157

  8. Back Matter

    Pages 159-209
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Keywords

About this book

In this thesis, Andrew Logsdail demonstrates that computational chemistry is a powerful tool in contemporary nanoscience, complementing experimental observations and helping guide future experiments. The aim of this particular PhD is to further our understanding of structural and compositional preferences in gold nanoparticles, as well as the compositional and chemical ordering preferences in bimetallic nanoalloys formed with other noble metals, such as palladium and platinum. Highlights include: calculations of the structural preferences and optical-response of gold nanoparticles and gold-containing nanoalloys; the design and implementation of novel numerical algorithms for the structural characterisation of gold nanoparticles from electron microscopy images; and electronic structure calculations investigating the interaction of gold nanoparticles with graphene and graphite substrates.The results presented here have significant implications for future research on the chemical and physical properties of gold-based nanoparticles and are of interest to many researchers working on experimental and theoretical aspects of nanoscience.

Authors and Affiliations

  • Kathleen Lonsdale Materials Chemistry, D, University College London, London, United Kingdom

    Andrew James Logsdail

About the author

Dr. Andrew J. Logsdail studied his BSc (2003 - 2006), MRes (2006 - 2008) and PhD (2008 - 2012) in the School of Chemistry at the University of Birmingham, UK, with the latter two focused on characterising metallic nanoparticles, performed under the guidance of Professor Roy L. Johnston. In 2012 he moved to the Department of Chemistry at University College London, UK, working to develop novel methods for the characterisation of bulk defects in technologically important materials as a Postdoctoral Associate in the group of Professor C. Richard A. Catlow.

Bibliographic Information

  • Book Title: Computational Characterisation of Gold Nanocluster Structures

  • Authors: Andrew James Logsdail

  • Series Title: Springer Theses

  • DOI: https://doi.org/10.1007/978-3-319-01493-7

  • Publisher: Springer Cham

  • eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)

  • Copyright Information: Springer International Publishing Switzerland 2013

  • Hardcover ISBN: 978-3-319-01492-0Published: 11 September 2013

  • Softcover ISBN: 978-3-319-34865-0Published: 23 August 2016

  • eBook ISBN: 978-3-319-01493-7Published: 31 August 2013

  • Series ISSN: 2190-5053

  • Series E-ISSN: 2190-5061

  • Edition Number: 1

  • Number of Pages: XVI, 209

  • Number of Illustrations: 15 b/w illustrations, 84 illustrations in colour

  • Topics: Theoretical and Computational Chemistry, Nanochemistry, Catalysis

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