Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 114, Issue 31, Pages 13381-13384Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp101958p
Keywords
-
Funding
- Deutsche Forschungsgemeinschaft
Ask authors/readers for more resources
The primary adsorption sites in two representative zeolite imidazolate frameworks (ZIP), ZIF-8 and ZIF-11, have been identified by molecular dynamics (MD) techniques MD simulations reveal two symmetry-independent adsorption sites in ZIF-8 The first adsorption site is located above the imidazolate ring, in proximity of the C=C bond. The second one is in the pore channel. In ZIF-11, an additional adsorption site located on top of the benzene ring is identified
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available