2024
DOI: 10.1021/acs.cgd.3c01154
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Theoretical Insights into the Mechanical Properties of DUT-8(Ni) MOF in the Open and Closed Pore Phases

I. D. Yushina,
Y. V. Matveychuk,
A. S. Krylov

Abstract: Insights into the mechanical properties of DUT-8(Ni) MOF crystals capable of structural phase transitions are presented. The open and closed pore phases of DUT-8(Ni) are drastically different in their mechanical behavior. For the openpore phase, a huge anisotropy of compressibility and shear modulus is observed, caused by the presence of two orthogonal motives formed by aromatic linkers bound with Ni atoms via Ni− O bonds. The possibility of easy shifting of linkers with breaking and formation of new Ni−O and … Show more

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