000 | 03071nam a22004695i 4500 | ||
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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 |
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024 | 7 |
_a10.1007/978-3-319-01493-7 _2doi |
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050 | 4 | _aQD450-801 | |
072 | 7 |
_aPNRP _2bicssc |
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072 | 7 |
_aSCI013050 _2bisacsh |
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082 | 0 | 4 |
_a541.2 _223 |
100 | 1 |
_aLogsdail, Andrew James. _eauthor. |
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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. |
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300 |
_aXVI, 209 p. 99 illus., 84 illus. in color. _bonline resource. |
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336 |
_atext _btxt _2rdacontent |
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337 |
_acomputer _bc _2rdamedia |
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338 |
_aonline resource _bcr _2rdacarrier |
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347 |
_atext file _bPDF _2rda |
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490 | 1 |
_aSpringer Theses, Recognizing Outstanding Ph.D. Research, _x2190-5053 |
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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 |