Precise control of the pore size and environment of metal–organic framework (MOF) is a
necessary condition for achieving high performance of gas adsorption and separation. After …

Transition-metal complexes are attractive targets for the design of catalysts and functional
materials. The behavior of the metal–organic bond, while very tunable for achieving target …

The high-efficiency separation of C 2 H 2/CO 2 has important research significance and
industrial value. The currently reported metal–organic framework (MOF) adsorbents for the …

When variance is encountered in reticular structures such as metal–organic frameworks, it
occurs as multiple kinds of functionalities bound and distributed in aperiodic lattices. In these …

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

In the last two decades, metal organic frameworks (MOFs) have gained significant attention
as adsorbent and membrane materials for gas separations. Due to the large number and …

This review spotlights the role of atomic‐level modeling in research on metal‐organic
frameworks (MOFs), especially the key methodologies of density functional theory (DFT) …

In recent years, metal–organic frameworks (MOFs) have become an area of intense
research interest because of their adjustable pores and nearly limitless structural diversity …

The atmospheric CO2 concentration continues a rapid increase to its current record high
value of 416 ppm for the time being. It calls for advanced CO2 capture technologies. One of …

Develo** new and efficient technologies for environmental remediation is becoming
significant due to the increase in global concerns such as climate change, severe …