What is it about?
Boron-containing zeolites are important for industrial applications due to their moderate acidity. Previous studies have shown that the boron sites are unstable in the presence of water. We studied by computer modelling what happens to the boron site when water occupies the zeolite pores.
Why is it important?
For the first time we showed that water can change the structure of zeolite boron sites from triangular to tetrahedral. The relative stability of the two structures depends on how much water is present in the zeolite pores.
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This page is a summary of: Water in Acid Boralites: Hydration Effects on Framework B Sites, The Journal of Physical Chemistry C, September 2008, American Chemical Society (ACS), DOI: 10.1021/jp803314c.
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