Abstract
We report a computational study on the distortion of SiO tetrahedra in zeolite frameworks. For all previously observed frameworks, the tetrahedral mismatch was found to span a narrow range (1.0 × 10 to 2.5 × 10 Å) of values, in contrast to the hypothetical frameworks, which were calculated to have a much wider range of mismatch values. The energy of the frameworks was not found to be a function of the tetrahedral distortion for the previously observed and moderately distorted (tetrahedral mismatch
Original language | English |
---|---|
Pages (from-to) | 14783-14785 |
Number of pages | 3 |
Journal | Journal of Physical Chemistry B |
Volume | 109 |
Issue number | 31 |
DOIs | |
Publication status | Published - 11 Aug 2005 |