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The experimental enthalpy of fusion for Li at its melting point (453.7 K) is 3 kJ/mol
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The experimental enthalpy of fusion for Li at its melting point (453.7 K) is 3 kJ/mol.
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Calculations using the LDA give intercalation energies for the stage 1 and stage 2 compounds (Equation presented) and (Equation presented) of (Equation presented) and (Equation presented) eV/Li, respectively, implying that LDA considerably overestimates the Li-graphite interaction
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Calculations using the LDA give intercalation energies for the stage 1 and stage 2 compounds (Equation presented) and (Equation presented) of (Equation presented) and (Equation presented) eV/Li, respectively, implying that LDA considerably overestimates the Li-graphite interaction.
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79
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84908420112
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For the energy to move a Li from the next-nearest-neighbor to the nearest-neighbor position of another Li in the bilayer graphene we find 0.26 eV using optB88-vdW. See also Ref. [22]
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For the energy to move a Li from the next-nearest-neighbor to the nearest-neighbor position of another Li in the bilayer graphene we find 0.26 eV using optB88-vdW. See also Ref. [22].
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