Fullerene as an Electron Buffer: Charge Transfer and Solvent Interactions
In this study we have investigated the interaction of M@C60 (M = Li+, Na+, K+) with solvents (H2O, CH3OH, HF, NH3) using Density Functional Theory (DFT) calculations. The calculations reveal that in all the computed cases the M@C60 complexes with solvents are more stable than without internal cation species.
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Document Type: Research Article
Publication date: 2008-04-01
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