Investigation of the Linker Swing Motion in the Zeolitic Imidazolate Framework ZIF-90

Authors :: Fang Fu
Bin Zheng
Yihan Zhu
Huiling Du
Limin Yang
Lian Li Wang
Source :: The Journal of Physical Chemistry C. 122:7203-7209
Publication Year :: 2018
Publisher :: American Chemical Society (ACS), 2018.
Abstract: The linker swing motion in the zeolitic imidazolate framework (ZIF-90) is investigated by density functional theory calculation and grand-canonical Monte Carlo simulations. The relation between the...

Subjects :: Materials science
Monte Carlo method
Motion (geometry)
02 engineering and technology
Swing
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
0104 chemical sciences
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Condensed Matter::Materials Science
General Energy
Chemical physics
Density functional theory
Physical and Theoretical Chemistry
0210 nano-technology
Linker
Zeolitic imidazolate framework

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