Density Functional Theory-Based Approaches to Improving Hydrogen Storage in Graphene-Based Materials.

Various technologies have been developed for the safe and efficient storage of hydrogen. Hydrogen storage in its solid form is an attractive option to overcome challenges such as storage and cost. Specifically, hydrogen storage in carbon-based structures is a good solution. To date, numerous theoretical studies have explored hydrogen storage in different carbon structures. Consequently, in this review, density functional theory (DFT) studies on hydrogen storage in graphene-based structures are examined in detail. Different modifications of graphene structures to improve their hydrogen storage properties are comprehensively reviewed. To date, various modified graphene structures, such as decorated graphene, doped graphene, graphene with vacancies, graphene with vacancies-doping, as well as decorated-doped graphene, have been explored to modify the reactivity of pristine graphene. Most of these modified graphene structures are good candidates for hydrogen storage. The DFT-based theoretical studies analyzed in this review should motivate experimental groups to experimentally validate the theoretical predictions as many modified graphene systems are shown to be good candidates for hydrogen storage.

Load Distribution on PET-G 3D Prints of Honeycomb Cellular Structures under Compression Load.

Energy resulting from an impact is manifested through unwanted damage to objects or persons. New materials made of cellular structures have enhanced energy absorption (EA) capabilities. The hexagonal honeycomb is widely known for its space-filling capacity, structural stability, and high EA potential. Additive manufacturing (AM) technologies have been effectively useful in a vast range of applications. The evolution of these technologies has been studied continuously, with a focus on improving the mechanical and structural characteristics of three-dimensional (3D)-printed models to create complex quality parts that satisfy design and mechanical requirements. In this study, 3D honeycomb structures of novel material polyethylene terephthalate glycol (PET-G) were fabricated by the fused deposition modeling (FDM) method with different infill density values (30%, 70%, and 100%) and printing orientations (edge, flat, and upright). The effectiveness for EA of the design and the effect of the process parameters of infill density and layer printing orientation were investigated by performing in-plane compression tests, and the set of parameters that produced superior results for better EA was determined by analyzing the area under the curve and the welding between the filament layers in the printed object via FDM. The results showed that the printing parameters implemented in this study considerably affected the mechanical properties of the 3D-printed PET-G honeycomb structure. The structure with the upright printing direction and 100% infill density exhibited an extension to delamination and fragmentation, thus, a desirable performance with a long plateau region in the load-displacement curve and major absorption of energy.