عنوان

Computational characterisation of gold nanocluster structures /

3319014935 (electronic bk.)

9783319014937 (electronic bk.)

9783319014920

b433125

Computational characterisation of gold nanocluster structures /

[Book]

Andrew James Logsdail

1 online resource (xvi, 209 pages) :

illustrations (some color)

Springer theses,

2190-5053

"Doctoral Thesis accepted by the University of Birmingham, UK."

Includes bibliographical references

Calculating the Structural Preference of High Symmetry Clusters for PdN, AuN, and (PdAu)N -- Method Development for comparing Scanning Transmission Electron Microscope Images to Theoretical Structures -- A First-Principles Study of the Soft-landing of Au16 on Graphite

0

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

OhioLINK electronic book center (Online)

SpringerLink

Chemistry-- Mathematics

Gold alloys-- Structure

Nanoparticles

PNRP

SCI-- 013050

SCI013050

Logsdail, Andrew James

Ohio Library and Information Network

20131202122225.0

pn

[Book]

Y