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Mechanistic Investigation of an Elastically Flexible Organic Crystal

Mechanical flexibility in molecular crystals is a fascinating behavior with potential for developing advanced technologies. However, the phenomenon of mechanical bending is poorly understood. We explore for the first time the atomistic origin of elastic bending in a single component organic crystal...

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Bibliographic Details
Published in:Crystal growth & design 2023-09, Vol.23 (9), p.6244-6249
Main Authors: Feiler, Torvid, Yasuda, Nobuhiro, Michalchuk, Adam A. L., Emmerling, Franziska, Bhattacharya, Biswajit
Format: Article
Language:English
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Summary:Mechanical flexibility in molecular crystals is a fascinating behavior with potential for developing advanced technologies. However, the phenomenon of mechanical bending is poorly understood. We explore for the first time the atomistic origin of elastic bending in a single component organic crystal using a combination of μ-focus synchrotron X-ray diffraction and ab initio simulation.
ISSN:1528-7483
1528-7505
DOI:10.1021/acs.cgd.3c00473