Publication Date:
2008
abstract:
Results of periodic first-principles calculations on boron containing zeolites are presented. The boron site trigonal-to-tetrahedral transition is studied in model B-SOD and B-FER. We show how boron acid sites in different frameworks respond differently to bases.
Iris type:
Articolo in Volume
Keywords:
DFT calculations; boron zeolites; acid sites; silanols
List of contributors:
Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria; Trudu, Federica
Book title:
Studies in Surface Science and Catalysis
Published in: