It is an established paradigm in the emerging fields of nanoscience, nanotechnology and
molecular engineering that a very important domain of fundamental research is associated …

Accelerating progress in the discovery and deployment of advanced nanoporous materials
relies on chemical insight and structure–property relationships for rational design. Because …

Porous polymer networks (PPNs) are a class of advanced porous materials that combine the
advantages of cheap and stable polymers with the high surface areas and tunable chemistry …

For applications of metal–organic frameworks (MOFs) such as gas storage and separation,
flexibility is often seen as a parameter that can tune material performance. In this work we …

In this work, we address the question of which thermodynamic factors determine the
deliverable capacity of methane in nanoporous materials. The deliverable capacity is one of …

Although the structure and properties of water under conditions of extreme confinement are
fundamentally important for a variety of applications, they remain poorly understood …

We develop the coarse-grained (CG) potentials of single-walled carbon nanotubes
(SWCNTs) in CNT bundles and buckypaper for the study of the static and dynamic …

The ability to separate mixtures of molecules is a vital technology in a world that emits
excess carbon dioxide into the atmosphere, needs purified water, desires artificial kidneys …

The hybridization of carbon-based nanomaterials (ie CNTs, fullerenes and graphene) via
chemical bonding provides a preferable way to maximize and control their exceptional …

In this paper, we use applied mathematical modelling to investigate the storage of hydrogen
molecules inside graphene-oxide frameworks, which comprise two parallel graphenes …