File Download

There are no files associated with this item.

  • Find it @ UNIST can give you direct access to the published full text of this article. (UNISTARs only)
Related Researcher

최원영

Choe, Wonyoung
Laboratory for Sustainable Future
Read More

Views & Downloads

Detailed Information

Cited time in webofscience Cited time in scopus
Metadata Downloads

Understanding the Structural Collapse during Activation of Metal- Organic Frameworks with Copper Paddlewheels

Author(s)
Mohamed, Saad AldinKim, YeongjinLee, JunkeeChoe, WonyoungKim, Jihan
Issued Date
2022-06
DOI
10.1021/acs.inorgchem.2c01171
URI
https://scholarworks.unist.ac.kr/handle/201301/58985
Citation
INORGANIC CHEMISTRY, v.61, no.25, pp.9702 - 9709
Abstract
Many metal-organic frameworks (MOFs) suffer from stability issues as they can be easily amorphized from various external stimuli. In particular, it is common to observe structural collapse during the activation process of removing the synthesis solvent. In this study, we conduct high-throughput computational analysis that focuses on the activation status of MOFs that possess copper paddlewheel metal nodes. From the analysis, various mechanical properties (e.g., bulk, Young's, and shear moduli) were found to be good predictors for collapse. Furthermore, we have identified anomaly MOFs with good mechanical stability that were previously reported to collapse. Accordingly, the activation process was reattempted with improved techniques, and one of these MOFs was successfully activated.
Publisher
AMER CHEMICAL SOC
ISSN
0020-1669
Keyword
FORCE-FIELDSTABILITYREARRANGEMENTROUTESITES

qrcode

Items in Repository are protected by copyright, with all rights reserved, unless otherwise indicated.