First Principles Studies on Chemical and Electronic Structures of Adsorbates

First Principles Studies on Chemical and Electronic Structures of Adsorbates

In this thesis, we focus on theoretical study of adsorbates on metal and oxide surfaces that are important for surface chemistry and catalysis. Based on first principles calculations, the adsorption ofCO, NO, NO2, C4H6S2, C22H27SH and other molecules or radicals on nobel metal surfaces (gold and sil...

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Bibliographic Details
Main Author: Zhang, Wenhua
Format: Doctoral Thesis
Language:English
Published: KTH, Teoretisk kemi (stängd 20110512) 2009
Subjects:
Solid state chemistry
Fasta tillståndets kemi
Computational physics
Beräkningsfysik
Surfaces and interfaces
Ytor och mellanytor
Online Access:http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-10215
http://nbn-resolving.de/urn:isbn:978-91-7415-278-4

Internet

http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-10215
http://nbn-resolving.de/urn:isbn:978-91-7415-278-4

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