The study of the nanometer-scale vacancy defects (nanopores) in graphene by transmission electron microscopy (TEM) is severely hindered presence polymeric residues originating from graphene-transfer-step to TEM grid. state-of-the-art transfer strategies yield contamination-free pristine specimens but do not work well for nanoporous graphene. This because relatively high energy vacant nanopores ...

The physisorption of gases on surfaces depends on the electrostatic and dispersion interactions with adsorbates. The former can be tuned by introducing charge variations in the material, and the latter can be tuned by chemical substitution. Using atomistic Monte Carlo calculations, the Henry's law constants, and isosteric heats of adsorption of CH(4), CO(2), N(2), O(2), H(2)S, SO(2), and H(2)O ...

We review our approach to the generation of nanoporous materials, both semiconducting and metallic, which leads to the existence of nanopores within the bulk structure. This method, which we have named as the expanding lattice method, is a novel transferable approach which consists first of constructing crystalline supercells with a large number of atoms and a density close to the real value an...

Developing nanostructures with tunable magnetic states is crucial for designing novel data storage and quantum information devices. Using density functional theory, we investigate the thermodynamic stability and magnetic properties of tungsten adsorbed tri-vacancy fluorinated (TVF) graphene. We demonstrate a strong structure-property relationship and its response to external stimuli via defect ...

A facile production of highly porous graphene foam by using flame treatment of graphene oxide (GO) is proposed. Highly porous architectures with randomly distributed micro-crack and micro-slit were produced due to the high temperature induced ruinous reduction and rapid expansion of GO. Synchronously, abundant oxygen-containing groups (OCGs) on GO sheets could be effectively removed after flame...

Recently, much attention has been directed to 3D graphene structures due their potential of retaining intrinsic 2D properties, in combination with structural flexibility and tunable porosity. From a theoretical point view, however, it is challenging build foam that accurately represent experimental topological configurations. Here, we generate open-cell closely reflect template-based manufactur...