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 +3 more
wiley +1 more source
Electrode selection framework for oxygen evolution reaction catalysts involving density functional theory and finite element method. [PDF]
RSC AdvGanguly P +5 more
europepmc +1 more source
Fatigue‐Resistant Mechanoresponsive Color‐Changing Hydrogels for Vision‐Based Tactile Robots
Advanced Materials, EarlyView.Mechanoresponsive color‐changing materials that can reversibly and resiliently change color in response to stress are highly desirable for diverse technologies in optics, sensors, and robots; however, such materials are rarely achieved. This work reports a fatigue‐resistant mechanoresponsive color‐changing hydrogel that exhibits reversible, resilient ...
Jiabin Liu +4 more
wiley +1 more source
A Fresh Perspective on the Internal Plasticizing Effect in Non-Polymeric Glass-Formers. [PDF]
J Phys Chem BNowok A, Hellwig H, Kuś P.
europepmc +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 +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 +3 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 +7 more
wiley +1 more source
Supramolecular Chemistry in Metal–Organic Framework Materials
Advanced Materials, EarlyView.This review highlights synergies between reticular chemistry and supramolecular chemistry. The role of supramolecular interactions in determining framework…guest interactions and attempts to understand dynamic behavior in metal–organic frameworks (MOFs), particularly emphasizing the development of crystal sponges, studying reactions in frameworks and ...
Eugenia Miguel‐Casañ +3 more
wiley +1 more source
DFT-Based Functionalization of Graphene with Lithium-Modified Groups for Enhanced Hydrogen Detection: Thermodynamic, Electronic, and Spectroscopic Properties. [PDF]
Nanomaterials (Basel)Rangel-Vázquez NA +5 more
europepmc +1 more source
Adsorption and Separation by Flexible MOFs
Advanced Materials, EarlyView.Flexible metal–organic frameworks (MOFs) present significant potential for gas storage and separation due to their structural dynamic. This review explores the rationale behind the flexible MOFs' enhanced working capacity and separation factors. It also addresses key challenges, including phase transition kinetics, crystal robustness, cycling, shaping,
Irena Senkovska +4 more
wiley +1 more source