Geometrical and Electronic Structures at Molecule-Metal Interfaces from Theoretical Modeling

In this thesis, we focus on theoretical investigations on metal interfaces where many heterogeneous chemical reactions take place. Surface-enhanced Raman scattering (SERS) spectroscopy and the modern electrochemical methods are important in-situ techniques that have been widely employed for a variet...

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Bibliographic Details
Main Author: Duan, Sai
Format: Doctoral Thesis
Language:English
Published: KTH, Teoretisk kemi och biologi 2012
Subjects:
DFT
MD
Online Access:http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-94120
http://nbn-resolving.de/urn:isbn:978-91-7501-372-5