Exceptional Negative Thermal Expansion in Isoreticular Metal–Organic Frameworks | Zendy

Dubbeldam David | Zendy; Walton Krista S. | Zendy; Ellis Donald E. | Zendy; Snurr Randall Q. | Zendy

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Exceptional Negative Thermal Expansion in Isoreticular Metal–Organic Frameworks

Author(s) -

Dubbeldam David,

Walton Krista S.,

Ellis Donald E.,

Snurr Randall Q.

Publication year - 2007

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.200700218

Subject(s) - cyan , metal organic framework , adsorption , thermal stability , stability (learning theory) , content (measure theory) , thermal expansion , computer science , thermodynamics , chemical engineering , materials science , chemistry , physics , organic chemistry , engineering , mathematics , mathematical analysis , machine learning , optics

Shrink when heated : A new model for flexible frameworks is used to simulate the structures and adsorption properties of isoreticular metal–organic frameworks (IRMOFs), such as IRMOF‐1 (see picture; Zn silver, C cyan, H white, O red). The structural simulations suggest that the IRMOFs have negative thermalexpansion coefficients over their full temperature ranges of stability.

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