Density Functional Theory Investigations of Surface Structure and Reactivity
The Cr2O3(0001) surface is assumed to terminate by chromium atoms, chromyl groups, and oxygen atoms. This essentially models the industrial surface when subjected to different oxygen chemical potentials. The issue of high temperature surface states is also of particular importance concerning various...
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| Format: | Doctoral Thesis |
| Language: | English |
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Norges teknisk-naturvitenskapelige universitet, Institutt for fysikk
2011
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| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:no:ntnu:diva-14345 http://nbn-resolving.de/urn:isbn:978-82-471-2717-9 (printed ver.) http://nbn-resolving.de/urn:isbn:978-82-471-2718-6 (electronic ver.) |