Conformational flexibility Tuned positive thermal expansion in Li-based 3D metal−organic framework

2019 ◽  
Vol 105 ◽  
pp. 247-252
Author(s):  
Min-Min Liu ◽  
Ya-Ru Feng ◽  
Ying-Xia Wang ◽  
You-Zhu Yu ◽  
Long Sun ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Metal Organic Framework ◽  
Conformational Flexibility ◽  
Metal Organic ◽  
Organic Framework

Proposal for a material with negative thermal expansion

2016 ◽  
Vol 30 (32) ◽  
pp. 1650238
Author(s):  
Mikrajuddin Abdullah
Keyword(s):  
Thermal Expansion ◽  
Glass Transition ◽  
Transition Temperature ◽  
Metal Organic Framework ◽  
Negative Thermal Expansion ◽  
Lennard Jones ◽  
Model Predictions ◽  
Metal Organic ◽  
Organic Framework

I propose a model of a material that exhibits negative thermal expansion (NTE) properties and criteria for the occurrence of linear and volumetric NTE. I derived the criteria for an arbitrary force between rigid units in the material. These criteria are also discussed specifically for the Lennard–Jones (6–12) potential and in more detail for metal–organic framework (MOF) materials comprising rigid units connected by organic linkers. Qualitatively, the model predictions can explain some observed results. Surprisingly, the model can produce equations for the transition temperature from NTE to positive thermal expansion (PTE), [Formula: see text] K, which is exactly the same as the temperature at which the glass transition begins to occur in most polymers, i.e., [Formula: see text] K.

Negative Thermal Expansion in the Metal-Organic Framework Material Cu3(1,3,5-benzenetricarboxylate)2

2008 ◽  
Vol 120 (46) ◽  
pp. 9061-9064 ◽  
Author(s):  
Yue Wu ◽  
Atsushi Kobayashi ◽  
Gregory J. Halder ◽  
Vanessa K. Peterson ◽  
Karena W. Chapman ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Metal Organic Framework ◽  
Negative Thermal Expansion ◽  
Metal Organic ◽  
Organic Framework

Zero thermal expansion in metal-organic framework with imidazole dicarboxylate ligands

2021 ◽  
Author(s):  
Qilong Gao ◽  
Yixin Jiao ◽  
Gang Li
Keyword(s):  
Thermal Expansion ◽  
Structural Model ◽  
Layer Structure ◽  
Variable Temperature ◽  
Metal Organic Framework ◽  
Strong Relationship ◽  
Honeycomb Structure ◽  
Axis Direction ◽  
Metal Organic ◽  
Organic Framework

Abstract Exploring new abnormal thermal expansion materials is important to understand the nature of thermal expansion. Metal-Organic Framework (MOF) with unique structure flexibility is ideal material to study the thermal expansion. This work adopts the high-resolution variable-temperature powder X-ray diffraction to investigate the structure and intrinsic thermal expansion in Sr-MOF ([Sr(DMPhH2IDC)2]n). It has the unique honeycomb structure with 1D channels along c-axis direction, the a-b plane displays layer structure. The thermal expansion behavior has strong relationship with the structure, ZTE appears in the a-b plane and large PTE along c-axis direction. The possible mechanism is that the a/b layers have enough space for the transverse thermal vibration of polydentate ligands, while along the c-axis direction is not. This work not only reports one interesting zero thermal expansion material, but also provides new understand for thermal expansion mechanism from the perspective of structural model.

scholarly journals Magnetoelastic coupling in the cobalt adipate metal–organic framework from quasi-harmonic lattice dynamics

2015 ◽  
Vol 3 (42) ◽  
pp. 11076-11080 ◽  
Author(s):  
Katrine L. Svane ◽  
Paul J. Saines ◽  
Aron Walsh
Keyword(s):  
Thermal Expansion ◽  
Lattice Dynamics ◽  
Metal Organic Framework ◽  
Magnetic Interactions ◽  
Magnetoelastic Coupling ◽  
Metal Organic ◽  
Organic Framework

We explore how thermal expansion influences the magnetic interactions in hybrid frameworks.

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