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Titlebook: Computational Characterisation of Gold Nanocluster Structures; Andrew James Logsdail Book 2013 Springer International Publishing Switzerla

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发表于 2025-3-21 17:24:44 | 显示全部楼层 |阅读模式
书目名称Computational Characterisation of Gold Nanocluster Structures
编辑Andrew James Logsdail
视频video
概述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 o
丛书名称Springer Theses
图书封面Titlebook: Computational Characterisation of Gold Nanocluster Structures;  Andrew James Logsdail Book 2013 Springer International Publishing Switzerla
描述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.
出版日期Book 2013
关键词Carbon Graphite Supported Gold; Genetic Algorithm; Gold Clusters; Gold Nanoclusters; Gold Nanoparticles;
版次1
doihttps://doi.org/10.1007/978-3-319-01493-7
isbn_softcover978-3-319-34865-0
isbn_ebook978-3-319-01493-7Series ISSN 2190-5053 Series E-ISSN 2190-5061
issn_series 2190-5053
copyrightSpringer International Publishing Switzerland 2013
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发表于 2025-3-21 21:25:12 | 显示全部楼层
Book 2013he 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.
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Coherent Control of Molecular Dynamicsy structures composed of Pd, Au, or a combination of the two. Clusters have been created using mathematical constructs, and then energetically minimised. Stability trends are identified for different compositions and geometries, in order to compare our results with experimental observations.
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2190-5053 etallic and bimetallic gold nanoclusters.Characterises the oIn 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 fur
发表于 2025-3-22 22:19:20 | 显示全部楼层
Calculating the Structural Preference of High Symmetry Clusters for ,, ,, and ,,est energy isomer (i.e. the global minimum, GM) [1], as well as providing information on preferential cluster geometries [2], or local minima, and further details such as metal segregation in bimetallic systems [3]. In this chapter the relative energetics will be discussed for different high-symmetr
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Method Development for Comparing Scanning Transmission Electron Microscope Images to Theoretical StHAADF) detector, is appealing as a technique for probing the 3-dimensional (3D) structural properties of nanoclusters as the image intensity is proportional to both the atomic column height [1] and atomic number (.) [2] of the component atoms.
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