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001 978-3-319-01493-7
003 DE-He213
005 20140220082840.0
007 cr nn 008mamaa
008 130830s2013 gw | s |||| 0|eng d
020 _a9783319014937
_9978-3-319-01493-7
024 7 _a10.1007/978-3-319-01493-7
_2doi
050 4 _aQD450-801
072 7 _aPNRP
_2bicssc
072 7 _aSCI013050
_2bisacsh
082 0 4 _a541.2
_223
100 1 _aLogsdail, Andrew James.
_eauthor.
245 1 0 _aComputational Characterisation of Gold Nanocluster Structures
_h[electronic resource] /
_cby Andrew James Logsdail.
264 1 _aCham :
_bSpringer International Publishing :
_bImprint: Springer,
_c2013.
300 _aXVI, 209 p. 99 illus., 84 illus. in color.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
490 1 _aSpringer Theses, Recognizing Outstanding Ph.D. Research,
_x2190-5053
505 0 _aFrom the Contents: 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.
520 _aIn 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.
650 0 _aChemistry.
650 0 _aCatalysis.
650 0 _aNanochemistry.
650 1 4 _aChemistry.
650 2 4 _aTheoretical and Computational Chemistry.
650 2 4 _aNanochemistry.
650 2 4 _aCatalysis.
710 2 _aSpringerLink (Online service)
773 0 _tSpringer eBooks
776 0 8 _iPrinted edition:
_z9783319014920
830 0 _aSpringer Theses, Recognizing Outstanding Ph.D. Research,
_x2190-5053
856 4 0 _uhttp://dx.doi.org/10.1007/978-3-319-01493-7
912 _aZDB-2-CMS
999 _c96544
_d96544