Metal–organic frameworks (MOFs) can contain open metal sites (OMS) or coordinatively
unsaturated sites (CUS) or open coordination sites (OCS) when vacant Lewis acid sites on …

Metal organic frameworks (MOFs) are crystalline, hybrid, materials containing metal ions
and organic molecules; components that together form three-dimensional structures. At the …

A recent report from the United Nations has warned about the excessive CO2 emissions and
the necessity of making efforts to keep the increase in global temperature below 2° C …

Machine learning (ML) using data sets of atomic and molecular force fields (FFs) has made
significant progress and provided benefits in the fields of chemistry and material science …

The continuous carbon dioxide (CO2) gas emissions associated with fossil fuel production,
valorization, and utilization are serious challenges to the global environment. Therefore …

Abstract Metal Organic Frame works (MOFs) are being widely used in carbon capture
through adsorption and membrane techniques, which are yet to be commercialized. This is …

The adsorption energy and electronic properties of sulfur dioxide (SO2) adsorbed on
different low-Miller index cobalt phosphide (CoP) surfaces were examined using density …

Direct CO2 conversion from flue gas into high-value products is of great significance not only
in relieving environmental burden but alleviating the energy crisis by a low-cost and energy …

Living on an increasingly polluted planet, the removal of toxic pollutants such as sulfur
dioxide (SO2) from the troposphere and power station flue gas is becoming more and more …

Computational chemistry techniques offer tremendous potential for accelerating the
discovery of sustainable chemical processes and reactions. However, the environmental …