Computational Characterisation of Gold Nanocluster Structures

• Main Author: Logsdail, Andrew James (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Cham : Springer International Publishing : Imprint: Springer, 2013.
• Series: Springer Theses, Recognizing Outstanding Ph.D. Research,
• Subjects: Chemistry.; Chemistry, Physical and theoretical.; Catalysis.; Nanochemistry.; Theoretical and Computational Chemistry.

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 prefe...

Table of Contents:

• From 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.