Our paper titled “Boron nitride graphite intercalated with carbon-boron-nitride fullerenes for enhanced hydrogen storage” has been published online in the journal “Chemical Physics Letters”, accessible at https://doi.org/10.1016/j.cplett.2024.141673
The study explored the capacity of boron nitride-graphite intercalated with carbon-boron-nitride fullerenes for hydrogen storage, utilizing density functional theory and Grand Canonical Monte Carlo simulations. Under conditions of 77 K and a pressure of 30 MPa, the refined structure of the C14(BN)23-inserted BN graphite demonstrated significant hydrogen storage capabilities, with a weight percentage of 6.39% and a volume adsorption of 0.07 kg/L. These results exceed the targets set by the U.S. Department of Energy, which are 5.5 weight percent and 0.04 kg/L, respectively. The enhanced performance is due to the increased adsorption affinity of the BN atoms and the expansion of the material’s lattice constants. This research presents potentially valuable pathways for the creation of cutting-edge hydrogen storage materials.
The journal Chemical Physics Letters is dedicated to publishing concise reports on a range of topics including molecules, interfaces, condensed phases, nanomaterials, nanostructures, polymers, biomolecular systems, and technologies related to energy conversion and storage. It is ranked in the Q3 category according to the latest Web of Science (WOS) journal citation rankings. As of 2024, the journal boasts an impact factor of 2.8.