Reticular Chemistry and Metal-Organic Frameworks for Clean Energy

MRS Bulletin ◽  
2009 ◽  
Vol 34 (9) ◽  
pp. 682-690 ◽  
Author(s):  
Omar M. Yaghi ◽  
Qiaowei Li
Keyword(s):  
Carbon Dioxide ◽  
Metal Organic Frameworks ◽  
Clean Energy ◽  
Building Blocks ◽  
Zeolitic Imidazolate Frameworks ◽  
Design Concepts ◽  
Surface Areas ◽  
Molecular Building Blocks ◽  
Metal Organic ◽  
Molecular Aspects

AbstractReticular chemistry concerns the linking of molecular building blocks into predetermined structures using strong bonds. We have been working on creating and developing the conceptual and practical basis of this new area of research. As a result, new classes of crystalline porous materials have been designed and synthesized: metal-organic frameworks, zeolitic imidazolate frameworks, and covalent organic frameworks. Crystals of this type have exceptional surface areas (2,000−6,000 m2/g) and take up voluminous amounts of hydrogen (7.5 wt% at 77 K and 3−4 × 106 Pa), methane (50 wt% at 298 K and 2.5 × 106 Pa), and carbon dioxide (140 wt% at 298 K and 3 × 106 Pa). We have driven the basic science all the way to applications without losing sight of our quest for understanding the underlying molecular aspects of this chemistry. The presentation was focused on the design concepts, synthesis, and structure of these materials, with emphasis on their applications to onboard energy storage.

A Molecular Artisans Guide to Supramolecular Coordination Complexes and Metal Organic Frameworks

2015 ◽  
Vol 03 (01n02) ◽  
pp. 1540004 ◽  
Author(s):  
Xialu Wu ◽  
David J. Young ◽  
T. S. Andy Hor
Keyword(s):  
Chemical Reactivity ◽  
Metal Organic Frameworks ◽  
Building Blocks ◽  
Coordination Complexes ◽  
Large Molecules ◽  
Molecular Building Blocks ◽  
Supramolecular Coordination ◽  
Metal Organic ◽  
Molecular Synthesis ◽  
And Function

As molecular synthesis advances, we are beginning to learn control of not only the chemical reactivity (and function) of molecules, but also of their interactions with other molecules. It is this basic idea that has led to the current explosion of supramolecular science and engineering. Parallel to this development, chemists have been actively pursuing the design of very large molecules using basic molecular building blocks. Herein, we review the general development of supramolecular chemistry and particularly of two new branches: supramolecular coordination complexes (SCCs) and metal organic frameworks (MOFs). These two fields are discussed in detail with typical examples to illustrate what is now possible and what challenges lie ahead for tomorrow's molecular artisans.

scholarly journals Inverse Design of Nanoporous Crystalline Reticular Materials with Deep Generative Models

2020 ◽  
Author(s):  
Zhenpeng Yao ◽  
Benjamin Sanchez-Lengeling ◽  
N. Scott Bobbitt ◽  
Benjamin J. Bucior ◽  
Sai Govind Hari Kumar ◽  
...  
Keyword(s):  
Self Assembly ◽  
Metal Organic Framework ◽  
Internal Surface ◽  
Building Blocks ◽  
Structural Features ◽  
Generative Models ◽  
Combinatorial Design ◽  
Surface Areas ◽  
Molecular Building Blocks ◽  
Metal Organic

Reticular frameworks are crystalline porous materials that form <i>via</i> the self-assembly of molecular building blocks (<i>i.e.</i>, nodes and linkers) in different topologies. Many of them have high internal surface areas and other desirable properties for gas storage, separation, and other applications. The notable variety of the possible building blocks and the diverse ways they can be assembled endow reticular frameworks with a near-infinite combinatorial design space, making reticular chemistry both promising and challenging for prospective materials design. Here, we propose an automated nanoporous materials discovery platform powered by a supramolecular variational autoencoder (SmVAE) for the generative design of reticular materials with desired functions. We demonstrate the automated design process with a class of metal-organic framework (MOF) structures and the goal of separating CO<sub>2</sub> from natural gas or flue gas. Our model exhibits high fidelity in capturing structural features and reconstructing MOF structures. We show that the autoencoder has a promising optimization capability when jointly trained with multiple top adsorbent candidates identified for superior gas separation. MOFs discovered here are strongly competitive against some of the best-performing MOFs/zeolites ever reported. This platform lays the groundwork for the design of reticular frameworks for desired applications.

scholarly journals Inverse Design of Nanoporous Crystalline Reticular Materials with Deep Generative Models

2020 ◽  
Author(s):  
Zhenpeng Yao ◽  
Benjamin Sanchez-Lengeling ◽  
N. Scott Bobbitt ◽  
Benjamin J. Bucior ◽  
Sai Govind Hari Kumar ◽  
...  
Keyword(s):  
Self Assembly ◽  
Metal Organic Framework ◽  
Internal Surface ◽  
Building Blocks ◽  
Structural Features ◽  
Generative Models ◽  
Combinatorial Design ◽  
Surface Areas ◽  
Molecular Building Blocks ◽  
Metal Organic

Reticular frameworks are crystalline porous materials that form <i>via</i> the self-assembly of molecular building blocks (<i>i.e.</i>, nodes and linkers) in different topologies. Many of them have high internal surface areas and other desirable properties for gas storage, separation, and other applications. The notable variety of the possible building blocks and the diverse ways they can be assembled endow reticular frameworks with a near-infinite combinatorial design space, making reticular chemistry both promising and challenging for prospective materials design. Here, we propose an automated nanoporous materials discovery platform powered by a supramolecular variational autoencoder (SmVAE) for the generative design of reticular materials with desired functions. We demonstrate the automated design process with a class of metal-organic framework (MOF) structures and the goal of separating CO<sub>2</sub> from natural gas or flue gas. Our model exhibits high fidelity in capturing structural features and reconstructing MOF structures. We show that the autoencoder has a promising optimization capability when jointly trained with multiple top adsorbent candidates identified for superior gas separation. MOFs discovered here are strongly competitive against some of the best-performing MOFs/zeolites ever reported. This platform lays the groundwork for the design of reticular frameworks for desired applications.

Remote Stabilization of Copper Paddlewheel Based Molecular Building Blocks in Metal–Organic Frameworks

2015 ◽  
Vol 27 (6) ◽  
pp. 2144-2151 ◽  
Author(s):  
Wen-Yang Gao ◽  
Rong Cai ◽  
Tony Pham ◽  
Katherine A. Forrest ◽  
Adam Hogan ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Building Blocks ◽  
Molecular Building Blocks ◽  
Metal Organic

scholarly journals Inverse Design of Nanoporous Crystalline Reticular Materials with Deep Generative Models

2020 ◽  
Author(s):  
Zhenpeng Yao ◽  
Benjamin Sanchez-Lengeling ◽  
N. Scott Bobbitt ◽  
Benjamin J. Bucior ◽  
Sai Govind Hari Kumar ◽  
...  
Keyword(s):  
Self Assembly ◽  
Metal Organic Framework ◽  
Internal Surface ◽  
Building Blocks ◽  
Structural Features ◽  
Generative Models ◽  
Combinatorial Design ◽  
Surface Areas ◽  
Molecular Building Blocks ◽  
Metal Organic

Reticular frameworks are crystalline porous materials that form <i>via</i> the self-assembly of molecular building blocks (<i>i.e.</i>, nodes and linkers) in different topologies. Many of them have high internal surface areas and other desirable properties for gas storage, separation, and other applications. The notable variety of the possible building blocks and the diverse ways they can be assembled endow reticular frameworks with a near-infinite combinatorial design space, making reticular chemistry both promising and challenging for prospective materials design. Here, we propose an automated nanoporous materials discovery platform powered by a supramolecular variational autoencoder (SmVAE) for the generative design of reticular materials with desired functions. We demonstrate the automated design process with a class of metal-organic framework (MOF) structures and the goal of separating CO<sub>2</sub> from natural gas or flue gas. Our model exhibits high fidelity in capturing structural features and reconstructing MOF structures. We show that the autoencoder has a promising optimization capability when jointly trained with multiple top adsorbent candidates identified for superior gas separation. MOFs discovered here are strongly competitive against some of the best-performing MOFs/zeolites ever reported. This platform lays the groundwork for the design of reticular frameworks for desired applications.

Carbon Dioxide Captured by Metal Organic Frameworks and Its Subsequent Resource Utilization Strategy: A Review and Prospect

2019 ◽  
Vol 19 (6) ◽  
pp. 3059-3078 ◽  
Author(s):  
Xinbo Lian ◽  
Leilei Xu ◽  
Mindong Chen ◽  
Cai-e Wu ◽  
Wenjing Li ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Resource Utilization ◽  
Power Plants ◽  
Energy Requirement ◽  
Metal Organic Frameworks ◽  
Research Progress ◽  
Zeolitic Imidazolate Frameworks ◽  
Wide Range ◽  
Metal Organic ◽  
And Storage

The carbon dioxide (CO2) is notorious as the greenhouse gas, which could cause the global warming and climate change. Therefore, the reduction of the atmospheric CO2 emissions from power plants and other industrial facilities has become as an increasingly urgent concern. In the recent years, CO2 capture and storage technologies have received a worldwide attention. Adsorption is considered as one of the efficient options for CO2 capture because of its cost advantage, low energy requirement and extensive applicability over a relatively wide range of temperature and pressure. The metal organic frameworks (MOFs) show widely potential application prospects in CO2 capture and storage owing to their outstanding textural properties, such as the extraordinarily high specific surface area, tunable pore size, ultrahigh porosity (up to 90%), high crystallinity, adjustable internal surface properties, and controllable structure. Herein, the most important research progress of MOFs materials on the CO2 capture and storage in recent years has been comprehensively reviewed. The extraordinary characteristics and CO2 capture performance of Zeolitic Imidazolate Frameworks (ZIFs), Bio-metal organic frameworks (bio-MOFs), IL@MOFs and MOF-composite materials were highlighted. The promising strategies for improving the CO2 adsorption properties of MOFs materials, especially the low-pressure adsorption performance under actual flue gas conditions, are also carefully summarized. Besides, CO2 is considered as an abundant, nontoxic, nonflammable, and renewable C1 resource for the synthesis of useful chemicals and fuels. The potential routes for resource utilization of the captured CO2 are briefly proposed.

scholarly journals Redox Activity as a Powerful Strategy to Tune Magnetic and/or Conducting Properties in Benzoquinone-Based Metal-Organic Frameworks

2021 ◽  
Vol 7 (8) ◽  
pp. 109
Author(s):  
Noemi Monni ◽  
Mariangela Oggianu ◽  
Suchithra Ashoka Sahadevan ◽  
Maria Laura Mercuri
Keyword(s):  
Electrode Materials ◽  
Metal Organic Frameworks ◽  
Future Generation ◽  
Building Blocks ◽  
Redox Activity ◽  
Semiquinone Radical ◽  
Molecular Building Blocks ◽  
Redox Active ◽  
Metal Organic ◽  
Selection Of

Multifunctional molecular materials have attracted material scientists for several years as they are promising materials for the future generation of electronic devices. Careful selection of their molecular building blocks allows for the combination and/or even interplay of different physical properties in the same crystal lattice. Incorporation of redox activity in these networks is one of the most appealing and recent synthetic strategies used to enhance magnetic and/or conducting and/or optical properties. Quinone derivatives are excellent redox-active linkers, widely used for various applications such as electrode materials, flow batteries, pseudo-capacitors, etc. Quinones undergo a reversible two-electron redox reaction to form hydroquinone dianions via intermediate semiquinone radical formation. Moreover, the possibility to functionalize the six-membered ring of the quinone by various substituents/functional groups make them excellent molecular building blocks for the construction of multifunctional tunable metal-organic frameworks (MOFs). An overview of the recent advances on benzoquinone-based MOFs, with a particular focus on key examples where magnetic and/or conducting properties are tuned/switched, even simultaneously, by playing with redox activity, is herein envisioned.

scholarly journals Envisioning the “Air Economy” — Powered by Reticular Chemistry and Sunlight for Clean Air, Clean Energy, and Clean Water

2021 ◽  
pp. 1-8
Author(s):  
Peidong Yang ◽  
Douglas S. Clark ◽  
Omar M. Yaghi
Keyword(s):  
Carbon Dioxide ◽  
Artificial Photosynthesis ◽  
Metal Organic Frameworks ◽  
Clean Energy ◽  
Scientific Basis ◽  
Clean Water ◽  
New Materials ◽  
Metal Organic ◽  
Fuels And Chemicals ◽  
Clean Air

Addressing the three major stresses facing our planet, clean air, clean energy, and clean water, is within our reach. At present, new materials such as metal-organic frameworks and covalent organic frameworks, produced by reticular chemistry, are at the forefront of efforts to capture carbon dioxide from air and harvest water from air. We envision that the products of these two capture processes (carbon dioxide and water) can be fed into a conversion cycle in which they are used to produce fuels and chemicals via artificial photosynthesis. The use of air as a nonpolluting, cyclable, and sustainable resource for carbon and water can be powered by sunlight. We describe how the scientific basis for realizing this vision is either already achieved or being established, and that in the fullness of time this paradigm may lead to new global industries and a thriving “air economy.”

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