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Grand canonical Monte Carlo simulations of methane adsorption in fullerene pillared graphene nanocomposites

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Li-doped fullerene pillared graphene nanocomposites for enhancing hydrogen storage: A computational study

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Summary: The study investigated the hydrogen physisorption performance of lithium-doped fullerene pillared graphene nanocomposites using GCMC simulations. Results showed that the hydrogen adsorption performance could be significantly enhanced with appropriate doping ratios and types of fullerenes, especially at low temperature or pressure conditions. Furthermore, lithium doping was found to greatly improve the excess hydrogen storage capacity of FPGNs at ambient temperature.

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