scholarly journals Unravelling thermal stress due to thermal expansion mismatch in metal–organic frameworks for methane storage

2021 ◽  
Author(s):  
Jelle Wieme ◽  
Veronique Van Speybroeck
Keyword(s):  
Thermal Expansion ◽  
Thermal Stress ◽  
Pressure Coefficient ◽  
Metal Organic Frameworks ◽  
Methane Storage ◽  
Thermal Expansion Mismatch ◽  
Thermal Pressure ◽  
Temperature Changes ◽  
Metal Organic ◽  
The Impact

Thermal stress is present in metal–organic frameworks undergoing temperature changes during adsorption and desorption. We computed the thermal pressure coefficient as a proxy for this phenomenon and discuss the impact of thermal expansion mismatch.

Methane storage in flexible metal–organic frameworks with intrinsic thermal management

Nature ◽  
2015 ◽  
Vol 527 (7578) ◽  
pp. 357-361 ◽  
Author(s):  
Jarad A. Mason ◽  
Julia Oktawiec ◽  
Mercedes K. Taylor ◽  
Matthew R. Hudson ◽  
Julien Rodriguez ◽  
...  
Keyword(s):  
Thermal Management ◽  
Metal Organic Frameworks ◽  
Methane Storage ◽  
Metal Organic ◽  
Flexible Metal

High Methane Storage Working Capacity in Metal–Organic Frameworks with Acrylate Links

2016 ◽  
Vol 138 (32) ◽  
pp. 10244-10251 ◽  
Author(s):  
Juncong Jiang ◽  
Hiroyasu Furukawa ◽  
Yue-Biao Zhang ◽  
Omar M. Yaghi
Keyword(s):  
Metal Organic Frameworks ◽  
Methane Storage ◽  
Working Capacity ◽  
Metal Organic

scholarly journals Tailoring the pore geometry and chemistry in microporous metal–organic frameworks for high methane storage working capacity

2019 ◽  
Vol 55 (76) ◽  
pp. 11402-11405 ◽  
Author(s):  
Kai Shao ◽  
Jiyan Pei ◽  
Jia-Xin Wang ◽  
Yu Yang ◽  
Yuanjing Cui ◽  
...  
Keyword(s):  
Pore Size ◽  
Metal Organic Frameworks ◽  
Pore Geometry ◽  
Methane Storage ◽  
Working Capacity ◽  
Metal Organic

We realized that engineering the pore size/geometry and chemistry in a series of MOFs can optimize the volumetric methane storage working capacity.

The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal–organic frameworks based on a naphthalenediimide chromophore

CrystEngComm ◽  
2018 ◽  
Vol 20 (17) ◽  
pp. 2430-2439 ◽  
Author(s):  
Hui-Ling Xu ◽  
Xiao-Shan Zeng ◽  
Jie Li ◽  
Yu-Ci Xu ◽  
Hai-Jiang Qiu ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Metal Ions ◽  
Significant Role ◽  
Photoinduced Electron Transfer ◽  
Metal Organic Frameworks ◽  
Metal Organic ◽  
Electron Transfer Properties ◽  
The Impact ◽  
Transfer Properties

Four photochromic MOFs show that electron-withdrawing capabilities of metal ions play a significant role in tuning the photosensitivity of photochromic MOFs.

scholarly journals Retrofitting metal-organic frameworks

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Christian Schneider ◽  
David Bodesheim ◽  
Julian Keupp ◽  
Rochus Schmid ◽  
Gregor Kieslich
Keyword(s):  
Thermal Expansion ◽  
Low Cost ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Computational Framework ◽  
Expansion Behavior ◽  
Open Metal Sites ◽  
Metal Organic ◽  
Set Up ◽  
Linker Molecules

Abstract The post-synthetic installation of linker molecules between open-metal sites (OMSs) and undercoordinated metal-nodes in a metal-organic framework (MOF) — retrofitting — has recently been discovered as a powerful tool to manipulate macroscopic properties such as the mechanical robustness and the thermal expansion behavior. So far, the choice of cross linkers (CLs) that are used in retrofitting experiments is based on qualitative considerations. Here, we present a low-cost computational framework that provides experimentalists with a tool for evaluating various CLs for retrofitting a given MOF system with OMSs. After applying our approach to the prototypical system CL@Cu3BTC2 (BTC = 1,3,5-benzentricarboxylate) the methodology was expanded to NOTT-100 and NOTT-101 MOFs, identifying several promising CLs for future CL@NOTT-100 and CL@NOTT-101 retrofitting experiments. The developed model is easily adaptable to other MOFs with OMSs and is set-up to be used by experimentalists, providing a guideline for the synthesis of new retrofitted MOFs with modified physicochemical properties.

Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal–Organic Frameworks

2017 ◽  
Vol 139 (38) ◽  
pp. 13300-13303 ◽  
Author(s):  
Cong-Cong Liang ◽  
Zhao-Lin Shi ◽  
Chun-Ting He ◽  
Jing Tan ◽  
Hu-Die Zhou ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Pore Geometry ◽  
Methane Storage ◽  
Metal Organic ◽  
Mesoporous Metal
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