Graphene pillared - Porous graphene framework; structural analysis and gas storage capacities

Porous graphene structures continue to attract attention with their increasingly superior properties. Especially through carbon-based porous structures in a framework form have found applications in various fields such as gas storage. In this study, graphene fragments were utilized as pillars between graphene layers to create a novel framework structure, and geometry optimization was performed under different external pressures. Adsorptions of hydrogen, carbon dioxide, and methane gases, which need to be controlled for combating global warming, were investigated for the optimized structure. It is found that the structure which withstand deformations up to 5 GPa of external pressure could store 2.005 wt % hydrogen hydrogen at room temperature and 100 bar pressure. Moreover, capable to adsorb 6.426 and 8.776 mmol/g carbon dioxide and methane at room temperature and 1 bar pressure, respectively. In conclusion, alongside other potential applications like electrical and energy storage, its usability as a gas adsorbent for combating global warming have a great potential.