Results 221 to 230 of about 362,217 (292)

Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications

Advanced Materials, EarlyView.
This review highlights the significance of molecular simulations in expanding the understanding of metal–organic frameworks (MOFs) and improving their gas adsorption applications. The historical development and implementation of molecular simulations in the MOF field are given, high‐throughput computational screening studies used to unlock the ...
Hilal Daglar, Hasan Can Gulbalkan, Gokhan Onder Aksu, Seda Keskin   +3 more
wiley   +1 more source

Matching fluid simulation elements to surface geometry and topology [PDF]

, 2010
Tyson Brochu, Christopher Batty, Robert Bridson   +2 more
openalex   +1 more source

Synthetic Aspects and Characterization Needs in MOF Chemistry – from Discovery to Applications

Advanced Materials, EarlyView.
Overcoming the challenges of phase discovery, synthesis optimization and scale‐up, characterization, and computational studies is essential to accelerate the large‐scale application of MOFs. Life‐cycle analyses and techno‐economic analyses need to be performed to realistically assess their potential for industrial relevance.
Bastian Achenbach, Aysu Yurdusen, Norbert Stock, Guillaume Maurin, Christian Serre   +4 more
wiley   +1 more source

Advancing from MOFs and COFs to Functional Macroscopic Porous Constructs

Advanced Materials, EarlyView.
This review study investigates the recent progress and methodologies for manufacturing metal–organic framework (MOF) or covalent–organic framework (COF)‐based 3D structured macroscopic porous constructs with high structural integrity, providing the possibility to control their porosity across dimensions.
Seyyed Alireza Hashemi, Ahmadreza Ghaffarkhah, Ali Akbar Isari, Mahyar Panahi‐Sarmad, Feng Jiang, Orlando J. Rojas, Stefan Wuttke, Mircea Dincă, Mohammad Arjmand   +8 more
wiley   +1 more source

Computational Modeling of Reticular Materials: The Past, the Present, and the Future

Advanced Materials, EarlyView.
Reticular materials are advanced materials with applications in emerging technologies. A thorough understanding of material properties at operating conditions is critical to accelerate the deployment at an industrial scale. Herein, the status of computational modeling of reticular materials is reviewed, supplemented with topical examples highlighting ...
Wim Temmerman, Ruben Goeminne, Kuber Singh Rawat, Veronique Van Speybroeck   +3 more
wiley   +1 more source

Structural Control of Photoconductivity in a Flexible Titanium‐Organic Framework

Advanced Materials, EarlyView.
The concept of flexibility is extended to titanium frameworks and use it to gain control over charge transport. MUV‐35 is a flexible doubly interpenetrated framework that can shrink spontaneously its volume by ≈40% to afford a photoconductive, porous state that is thermodynamically favored by non‐covalent interactions. Abstract The soft nature of Metal‐
Clara Chinchilla‐Garzón, Marta Galbiati, Alechania Misturini, Pol Gimeno‐Fonquernie, Neyvis Almora‐Barrios, Natalia M. Padial, Carlos Martí‐Gastaldo   +6 more
wiley   +1 more source

Covalent Organic Frameworks for Photocatalysis

Advanced Materials, EarlyView.
This review provides an overview of recent advances in covalent organic frameworks (COFs) for photocatalysis, focusing on sustainable energy applications like water splitting, hydrogen peroxide generation, and CO2 and N2 reduction. It discusses design principles, structure‐function relationships, challenges in COF photocatalysis, and strategies to ...
Bikash Mishra, Akhtar Alam, Avanti Chakraborty, Bidhan Kumbhakar, Samrat Ghosh, Pradip Pachfule, Arne Thomas   +6 more
wiley   +1 more source

Hierarchically MOF‐Based Porous Monolith Composites for Atmospheric Water Harvesting

Advanced Materials, EarlyView.
This review explores the design of hierarchical porous materials for atmospheric water harvesting, focusing on metal‐organic frameworks (MOFs) and porous monoliths. Emphasis is placed on integrating MOF nanoscale porosity with the microscale channels of monolithic scaffolds to enhance sorption‐desorption performance.
Mahyar Panahi‐Sarmad, Tianyu Guo, Seyyed Alireza Hashemi, Ahmadreza Ghaffarkhah, Stefan Wuttke, Mohammad Arjmand, Orlando J. Rojas, Feng Jiang   +7 more
wiley   +1 more source

A mechanism for Fermi-surface-topology tuned superconductivity in the cuprates

, 2007
N. Harrison, R. McDonald, John Singleton
openalex   +2 more sources

Advancing Metal–Organic Framework‐Based Composites for Effective Chemical Warfare Agent Detoxification under Real‐World Conditions

Advanced Materials, EarlyView.
This review describes recent developments in the design and synthesis of metal–organic frameworks (MOF)/textile composites for the detoxification of chemical warfare agent and simulants with extensive discussion on the advantages and disadvantages of different methods.
Zhihua Cheng, Kira M. Fahy, Gregory W. Peterson, Kent O. Kirlikovali, Omar K. Farha   +4 more
wiley   +1 more source