Sorption of molecules by alkali metal-graphite intercalation compounds

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Synthesis of ternary and quaternary graphite intercalation compounds containing alkali metal cations and diamines.

A series of ternary graphite intercalation compounds (GICs) of alkali metal cations (M = Li, Na, K) and diamines [EN (ethylenediamine), 12DAP (1,2-diaminopropane), and DMEDA (N,N-dimethylethylenediamine)] are reported. These include stage 1 and 2 M-EN-GIC (M = Li, d(i) = 0.68-0.84 nm; M = Na, d(i) = 0.68 nm), stage 2 Li-12DAP-GIC (d(i) = 0.83 nm), and stage 1 and 2 Li-DMEDA-GIC (d(i) = 0.91 nm)...

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Using ab initio Density Functional Theory, we determine changes of the equilibrium structure of graphite due to charge transfer between the alkali intercalant atoms and the host layers. From our self-consistent calculations, we show for stage-l Li and K graphite intercalation compounds that there is a deviation from a universal relationship between charge transfer and the C-C bond length. We fi...

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ژورنال

عنوان ژورنال: TANSO

سال: 2007

ISSN: 1884-5495,0371-5345

DOI: 10.7209/tanso.2007.38