The targeted incorporation of defects into crystalline matter allows for the manipulation of
many properties and has led to relevant discoveries for optimized and even novel …

This Review focuses on research oriented toward elucidation of the various aspects that
determine adsorption of CO2 in metal–organic frameworks and its separation from gas …

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 …

It is highly desirable to reduce the membrane thickness in order to maximize the throughput
and break the trade-off limitation for membrane-based gas separation. Two-dimensional …

The sharply rising level of atmospheric carbon dioxide resulting from anthropogenic
emissions is one of the greatest environmental concerns facing our civilization today. These …

Reducing anthropogenic CO2 emission and lowering the concentration of greenhouse
gases in the atmosphere has quickly become one of the most urgent environmental issues …

New materials capable of separating mixtures of saturated, unsaturated, and aromatic
hydrocarbons can enable more efficient industrial processes and cleaner energy …

Molecular simulation is a powerful tool to predict adsorption and to gain insight into the
corresponding molecular level phenomena. In this tutorial review, we provide an overview of …

The adsorption of CO2 and CH4 in a mixed-ligand metal− organic framework (MOF) Zn2
(NDC) 2 (DPNI)[NDC= 2, 6-naphthalenedicarboxylate, DPNI= N, N′-di-(4-pyridyl)-1, 4, 5, 8 …

Scientific progress is severely impeded if experimental measurements are not reproducible.
Materials chemistry and related fields commonly report new materials with limited attention …