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- W2079740498 abstract "Abstract Ab initio calculations based on the second-order Moller–Plesset perturbation theory (MP2) were used to investigate the interaction of molecular hydrogen with alkyl lithium organometallic compounds. It is found that lithium in organolithium structures attracts hydrogen molecule with a binding energy of about 0.1 eV. The calculations also show that organolithium compounds bind strongly with graphitic nanostructures. Therefore, these carbon based nanostructures functionalized with organolithium compounds can be effectively used for storage of molecular hydrogen. Energetics and mechanisms for achieving high weight percent hydrogen storage in organolithium based nanostructures are discussed." @default.
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- W2079740498 date "2007-02-01" @default.
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- W2079740498 title "Energetics of hydrogen storage in organolithium nanostructures" @default.
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- W2079740498 doi "https://doi.org/10.1016/j.cplett.2007.01.004" @default.
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