Compressing the Channels in the Crystal Structure of Copper Squarate Metal-Organic Framework
The crystal structure of a copper squarate metal-organic framework is fully determined using first principles methods based in density functional theory. The compressibility of this material is studied by optimizing the structure under different isotropic pressures and uniaxial stresses directed alo...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-06-01
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| Series: | Solids |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2673-6497/3/2/26 |