LEADER 02942oam 2200481 450 001 9910437804303321 005 20190911112725.0 010 $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 LEADER 01004nam0 22002771i 450 001 UON00222753 005 20231205103422.531 010 $a96-327-0554-8 100 $a20030730d1977 |0itac50 ba 101 $ahun 102 $aHU 105 $a|||| 1|||| 200 1 $aVerseskönyvrol verseskönyvre$fLengyel Balázs 210 $aBudapest$cMagveto Könyvkiadó$d1977 215 $a286 p.$d18 cm. 606 $aLetteratura ungherese$3UONC040840$2FI 620 $aHU$dBudapest$3UONL000090 676 $a894.511$cLetteratura ungherese$v21 700 1$aLENGYEL$bBalázs$3UONV130014$0683979 712 $aMagveto Könyvkiadó$3UONV274244$4650 801 $aIT$bSOL$c20251003$gRICA 899 $aSIBA - SISTEMA BIBLIOTECARIO DI ATENEO$2UONSI 912 $aUON00222753 950 $aSIBA - SISTEMA BIBLIOTECARIO DI ATENEO$dSI C 0122 $eSI EO 1179 5 0122 996 $aVerseskönyvrol verseskönyvre$91268979 997 $aUNIOR