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• W4382344200 abstract "This study employs molecular dynamics simulations to examine the physisorption behavior of hydrocarbon molecules on a covalent graphene-nanotube hybrid nanostructure. The results indicate that the adsorbed molecules undergo self-diffusion into the nanotubes without the need for external driving forces, primarily driven by significant variations in the binding energy throughout different regions. Notably, these molecules remain securely trapped within the tubes even at room temperature, thanks to a gate effect observed at the neck region, despite the presence of a concentration gradient that would typically hinder such trapping. This mechanism of passive mass transport and retention holds implications for the storage and separation of gas molecules." @default.
• W4382344200 created "2023-06-29" @default.
• W4382344200 creator A5024931578 @default.
• W4382344200 date "2023-06-28" @default.
• W4382344200 modified "2023-10-18" @default.
• W4382344200 title "Trapping Molecules in a Covalent Graphene–Nanotube Hybrid" @default.
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• W4382344200 doi "https://doi.org/10.1021/acs.jpcb.3c03132" @default.
• W4382344200 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37378591" @default.
• W4382344200 hasPublicationYear "2023" @default.
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