Abstract
A loca-density functional study of the (001) surface of mordenite is presented. As such, both pure siliceous and aluminum-substituted structures are examined. In agreement with AFM and HREM experiments performed on mordenite and zeolite L, only moderate changes in the structure at the surface with respect to the bulk are observed.
Originalsprache | Englisch |
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Seiten (von - bis) | 7295-7305 |
Seitenumfang | 11 |
Fachzeitschrift | Journal of Chemical Physics |
Jahrgang | 117 |
Ausgabenummer | 15 |
DOIs | |
Publikationsstatus | Veröffentlicht - 2002 |
ÖFOS 2012
- 103009 Festkörperphysik
- 103015 Kondensierte Materie
- 103025 Quantenmechanik
- 103036 Theoretische Physik