scholarly journals New platforms for gas separations and storage, chemical sensing, and catalysis

2014 ◽  
Vol 70 (a1) ◽  
pp. C1221-C1221
Author(s):  
Michael Zaworotko ◽  
John Perry
Keyword(s):  
Carbon Dioxide ◽  
Natural Gas ◽  
Crystal Engineering ◽  
Chemical Sensing ◽  
High Performance ◽  
Rational Design ◽  
Gas Storage ◽  
Structure Property ◽  
Energy Applications ◽  
Metal Organic

"Over the past two decades Metal-Organic Materials (MOMs), as exemplified by porous coordination polymers, discrete metal-organic polyhedra and metal-organic frameworks, have experienced tremendous growth in both the number of research papers and their impact. MOMs are receiving such attention thanks to their modular nature which affords them the potential to offer game-changing solutions for several important technological problems. MOMs can exhibit permanent porosity and many of their most anticipated applications, such as gas storage (carbon dioxide sequestration, natural gas, and hydrogen storage for energy applications), chemical separations, chemical sensing, catalysis, and drug delivery, involve the uptake or encapsulation of guests. Further, as they can often be obtained in a crystalline form, MOMs are also well suited to act as platforms materials for probing structure-property relationships. This presentation will survey several promising new MOM platforms that are being pursued by our research group and will address their performance with respect to carbon dioxide capture and sequestration, natural gas storage, and catalysis. Additionally, we will place these results in the context of the ""2-step"" crystal engineering principles that guided our research into the rational design of these high-performance materials (see Figure)."

A heterometallic metal–organic framework based on multi-nuclear clusters exhibiting high stability and selective gas adsorption

2019 ◽  
Vol 48 (1) ◽  
pp. 278-284 ◽  
Author(s):  
Dongmei Wang ◽  
Zihua Liu ◽  
Lili Xu ◽  
Chunxia Li ◽  
Dian Zhao ◽  
...  
Keyword(s):  
Chemical Stability ◽  
High Performance ◽  
High Stability ◽  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Gas Storage ◽  
Nuclear Clusters ◽  
Metal Organic ◽  
Thermal And Chemical Stability ◽  
Organic Framework

Porous In/Tb-CBDA has been successfully synthesized in the light of the heterometallic cooperative crystallization (HCC) approach. In/Tb-CBDA with high thermal and chemical stability exhibited high performance for gas storage and separation.

scholarly journals Direct evidence for 2-fold to 3-fold change of interpenetration in a MOF

2014 ◽  
Vol 70 (a1) ◽  
pp. C636-C636
Author(s):  
Himanshu Aggarwal ◽  
Prashant Bhatt ◽  
Charl Benzuidenhout ◽  
Leonard Barbour
Keyword(s):  
Single Crystal ◽  
Crystal Engineering ◽  
Molecular Level ◽  
Metal Organic Framework ◽  
Structural Rearrangement ◽  
Structure Property ◽  
Ambient Conditions ◽  
Physical Conditions ◽  
Structure Property Relationships ◽  
Metal Organic

Single-crystal to single-crystal transformations has recently received much attention in the field of crystal engineering. Such transformations not only provide insight into the changes taking place within the crystal at the molecular level, but they also aid our understanding of the structure-property relationships. Discrete crystals have been shown to tolerate considerable dynamic behavior at the molecular level while maintaining their single-crystal character. Examples that are common in the literature include bond formation/cleavage,[1] guest uptake,[2] release or exchange as well as polymorphic phase transformations. However, there are rare examples of the structural transformations on the host framework initiated by removal of guest or change in physical conditions such as temperature or pressure. We have investigated a known doubly-interpenetrated metal organic framework with the formula [Zn2(ndc)2(bpy)] which possesses minimal porosity when activated. We have shown not only that the material converts to its triply-interpenetrated analogue upon desolvation, but that the transformation occurs in a single-crystal to single-crystal manner under ambient conditions.[3] This contribution probes the limits to which a single-crystal material can undergo structural rearrangement while still maintaining the macroscopic integrity of the crystal as a discrete entity.

scholarly journals Rational Design of a Low-Cost, High-Performance Metal–Organic Framework for Hydrogen Storage and Carbon Capture

2017 ◽  
Vol 121 (2) ◽  
pp. 1171-1181 ◽  
Author(s):  
Matthew Witman ◽  
Sanliang Ling ◽  
Andrzej Gladysiak ◽  
Kyriakos C. Stylianou ◽  
Berend Smit ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
Carbon Capture ◽  
High Performance ◽  
Rational Design ◽  
Low Cost ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

scholarly journals Rational design of metal–organic frameworks with anticipated porosities and functionalities

CrystEngComm ◽  
2014 ◽  
Vol 16 (20) ◽  
pp. 4069-4083 ◽  
Author(s):  
Muwei Zhang ◽  
Mathieu Bosch ◽  
Thomas Gentle III ◽  
Hong-Cai Zhou
Keyword(s):  
Rational Design ◽  
Metal Organic Frameworks ◽  
Structure Property ◽  
Systematic Overview ◽  
Structure Property Relationships ◽  
Recent Advances ◽  
Metal Organic

This highlight review will outline the recent advances on rational design of MOFs from both our and other groups based on their structure–property relationships, and provide a systematic overview of different methods for rational design of MOFs with desired porosities and functionalities.

A polyhedral metal–organic framework based on the supermolecular building block strategy exhibiting high performance for carbon dioxide capture and separation of light hydrocarbons

2015 ◽  
Vol 51 (83) ◽  
pp. 15287-15289 ◽  
Author(s):  
Dongmei Wang ◽  
Bing Liu ◽  
Shuo Yao ◽  
Tao Wang ◽  
Guanghua Li ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Building Block ◽  
High Performance ◽  
Carbon Dioxide Capture ◽  
Metal Organic Framework ◽  
Light Hydrocarbons ◽  
Metal Organic ◽  
Organic Framework

A PMOF was assembled by the SBB strategy, which exhibited high performance for CO2capture and separation towards CO2, C2H6and C3H8over CH4.

scholarly journals Improving Hydride Conductivity in Layered Perovskites via Crystal Engineering

2020 ◽  
Author(s):  
Harry W. T. Morgan ◽  
Harry J. Stroud ◽  
Neil Allan
Keyword(s):  
Crystal Engineering ◽  
Density Functional ◽  
Rational Design ◽  
Ionic Mobility ◽  
Theory Approach ◽  
Ion Migration ◽  
Energy Applications ◽  
Migration Pathway ◽  
Migration Pathways ◽  
Layered Perovskites

Hydride ion conduction in layered perovskites is of great interest for sustainable-energy applications. In this report we study Ba2ScHO3, a recently synthesized oxyhydride with an unusual anion ordering, using a multifaceted density functional theory approach involving both transition state calculations and molecular dynamics simulations. Beyond simply identifying the key ion migration pathways, we perform detailed analysis of transition states and identify key interactions which drive trends in ionic mobility. Our key findings are that ionic mobility is, remarkably, independent of hydride-oxide disorder, the dominant migration pathway changes under pressure, and a reduction in A-site cation size accelerates hydride diffusion. Local structural flexibility along migration pathways is understood in terms of dimensionality and ionic size, and we thus identify crystal engineering principles for rational design of ion conductors. On the basis of our new insights into these materials, we predict that Sr2ScHO3 will show improved conductivity over existing analogues.

scholarly journals Rational Design of MOF-Based Materials for Next-Generation Rechargeable Batteries

2021 ◽  
Vol 13 (1) ◽  
Author(s):  
Zhengqing Ye ◽  
Ying Jiang ◽  
Li Li ◽  
Feng Wu ◽  
Renjie Chen
Keyword(s):  
High Performance ◽  
Rational Design ◽  
Metal Organic Framework ◽  
Rechargeable Batteries ◽  
High Porosity ◽  
Next Generation ◽  
Battery System ◽  
Lithium Sulfur Batteries ◽  
Metal Organic ◽  
Lithium Oxygen Batteries

AbstractMetal–organic framework (MOF)-based materials with high porosity, tunable compositions, diverse structures, and versatile functionalities provide great scope for next-generation rechargeable battery applications. Herein, this review summarizes recent advances in pristine MOFs, MOF composites, MOF derivatives, and MOF composite derivatives for high-performance sodium-ion batteries, potassium-ion batteries, Zn-ion batteries, lithium–sulfur batteries, lithium–oxygen batteries, and Zn–air batteries in which the unique roles of MOFs as electrodes, separators, and even electrolyte are highlighted. Furthermore, through the discussion of MOF-based materials in each battery system, the key principles for controllable synthesis of diverse MOF-based materials and electrochemical performance improvement mechanisms are discussed in detail. Finally, the major challenges and perspectives of MOFs are also proposed for next-generation battery applications.

scholarly journals Hydration-induced structural transitions in biomimetic tandem repeat proteins

2021 ◽  
Author(s):  
Romeo C. A. Dubini ◽  
Huihun Jung ◽  
Melik C. Demirel ◽  
Petra Rovó
Keyword(s):  
Tandem Repeat ◽  
High Performance ◽  
Rational Design ◽  
Dynamic Properties ◽  
Soft Segment ◽  
High Strength ◽  
Structural Rearrangement ◽  
Biological Materials ◽  
Self Healing ◽  
Structure Property

AbstractA major challenge in developing biomimetic, high-performance, and sustainable products is the accurate replication of the biological materials’ striking properties, such as high strength, self-repair, and stimuli-responsiveness. The rationalization of such features on the microscopic scale, together with the rational design of synthetic materials, is currently hindered by our limited understanding of the sequence-structure-property relationship. Here, employing state-of-the-art nuclear magnetic resonance (NMR) spectroscopy, we link the atomistic structural and dynamic properties of an artificial bioinspired tandem repeat protein TR(1,11) to its stunning macroscopic properties including high elasticity, self-healing capabilities, and recordholding proton conductivity amongst biological materials. We show that the hydration-induced structural rearrangement of the amorphous Gly-rich soft segment and the ordered Ala-rich hard segment is the key to the material’s outstanding physical properties. We found that in the hydrated state both the Ala-rich ordered and Gly-rich disordered parts contribute to the formation of the nanoconfined β-sheets, thereby enhancing the strength and toughness of the material. This restructuring is accompanied by fast proline ring puckering and backbone cis-trans isomerization at the water-protein interface, which in turn enhances the elasticity and the thermal conductivity of the hydrated films. Our in-depth characterization provides a solid ground for the development of next-generation materials with improved properties.

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