First Principles Modelling of Clean Energy Materials
This licentiate thesis presents the density functional theory study on clean energy materials relevant for catalysis applications, and for solid oxide fuel cells. In the first part of the thesis the metal supported ultrathin films, namely ScN/Mo, MgO/Mo and NaF/Mo are considered, and the Cu atom ads...
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| Format: | Others |
| Language: | English |
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KTH, Flerskalig materialmodellering
2015
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| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-166864 http://nbn-resolving.de/urn:isbn:978-91-7595-609-1 |