LEADER 02942oam  2200481   450 
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010   $a3-319-01493-5
024 7 $a10.1007/978-3-319-01493-7
035   $a(OCoLC)857904347
035   $a(MiFhGG)GVRL6XXM
035   $a(EXLCZ)993710000000015822
100   $a20130705d2013      uy             0
101 0 $aeng
135   $aurun|---uuuua
181   $ctxt
182   $cc
183   $acr
200 10$aComputational characterisation of gold nanocluster structures /$fAndrew James Logsdail
205   $a1st ed. 2013.
210  1$aCham [Switzerland] :$cSpringer,$d2013.
215   $a1 online resource (xvi, 209 pages) $cillustrations (some color)
225 1 $aSpringer Theses, Recognizing Outstanding Ph.D. Research,$x2190-5053
300   $a"ISSN: 2190-5053."
311   $a3-319-01492-7 
320   $aIncludes bibliographical reference.
327   $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.
330   $aIn this thesis, Andrew Logsdail demonstrates that computational chemistry is a powerful tool in contemporary nanoscience, complementing experimental observations and helping guide future experiments. The aim of this particular PhD is to further our understanding of structural and compositional preferences in gold nanoparticles, as well as the compositional and chemical ordering preferences in bimetallic nanoalloys formed with other noble metals, such as palladium and platinum. Highlights include: calculations of the structural preferences and optical-response of gold nanoparticles and gold-containing nanoalloys; the design and implementation of novel numerical algorithms for the structural characterisation of gold nanoparticles from electron microscopy images; and electronic structure calculations investigating the interaction of gold nanoparticles with graphene and graphite substrates.The results presented here have significant implications for future research on the chemical and physical properties of gold-based nanoparticles and are of interest to many researchers working on experimental and theoretical aspects of nanoscience.
410  0$aSpringer theses.
606   $aGold alloys$xStructure
606   $aChemistry$xMathematics
606   $aNanoparticles
615  0$aGold alloys$xStructure.
615  0$aChemistry$xMathematics.
615  0$aNanoparticles.
676   $a541.2
700   $aLogsdail$b Andrew James$4aut$4http://id.loc.gov/vocabulary/relators/aut$01063505
801  0$bMiFhGG
801  1$bMiFhGG
906   $aBOOK
912   $a9910437804303321
996   $aComputational Characterisation of Gold Nanocluster Structures$92532831
997   $aUNINA