This comprehensive review explores the diverse applications of defective zirconium-based
metal–organic frameworks (Zr-MOFs) in energy and environmental remediation. Zr-MOFs …

By combining metal nodes with organic linkers we can potentially synthesize millions of
possible metal–organic frameworks (MOFs). The fact that we have so many materials opens …

Porous materials are very promising for the development of cost-and energy-efficient
separation processes, such as for the purification of ethylene from ethylene/ethane mixture …

For miniaturized capacitive energy storage, volumetric and areal capacitances are more
important metrics than gravimetric ones because of the constraints imposed by device …

The development of computational methods to explore crystalline materials has received
significant attention in the last decades. Different codes have been reported to help …

The pore space partition (PSP) approach has been employed to realize a novel porous MOF
(FJU-90) with dual functionalities for the challenging C2H2/CO2 separation under ambient …

A new software package, RASPA, for simulating adsorption and diffusion of molecules in
flexible nanoporous materials is presented. The code implements the latest state-of-the-art …

Computational screening methods have changed the way new materials and processes are
discovered and designed. For adsorption-based gas separations and carbon capture, recent …

Organic electrode materials are of long‐standing interest for next‐generation sustainable
lithium‐ion batteries (LIBs). As a promising cathode candidate, imide compounds have …

Metal-organic frameworks (MOFs) are a new class of nanoporous materials that are widely
used in various emerging fields due to their large specific surface area, high porosity and …