Global reliance on fossil fuel combustion for energy production has contributed to the rising
concentration of atmospheric CO2, creating significant global climate challenges. In this …

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 light of the pressing need for efficient carbon capture solutions, our study investigates the
simultaneous adsorption of water (H2O) and carbon dioxide (CO2) as a function of relative …

The rise of CO2 concentrations in the environment due to anthropogenic activities results in
global warming and threatens the future of humanity and biodiversity. To address excessive …

CALF-20 is a zinc-triazole-oxalate-based metal–organic framework (MOF) that exhibits
selective CO2 physisorption, which makes it attractive for potential applications in CO2 …

Developing innovative porous solid sorbents for the capture and storage of toxic SO2 is
crucial for energy-efficient transportation and subsequent processing. Nonetheless, the …

Metal-organic frameworks (MOFs) are an emerging class of porous materials composed of
metal ions or clusters interconnected by organic ligands. Many proposed applications for …

Metal–organic frameworks (MOFs) are highly valuable hybrid materials that have drawn
significant research attention. One reason for such attractiveness is the designability of their …

Global warming has become a critical concern that affects the whole ecology and affects
greenhouses in the environment. Therefore, there is a great need to design and create new …

The rapidly increasing concentration of atmospheric carbon dioxide (CO2) is a growing
threat to human society. Selective capture of CO2 remains challenging but of global …