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...
| Main Author: | |
|---|---|
| Format: | Doctoral Thesis |
| Language: | English |
| Published: |
KTH, Teoretisk kemi (stängd 20110512)
2009
|
| Subjects: | |
| 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 |