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- W2056586284 abstract "Using a combination of deflection experiments and atomistic modeling, we investigate the structural and electrostatic properties of lithium and sodium clusters on a C60 molecule. The electric susceptibilities χ are measured for LinC60 and NanC60 clusters containing up to n = 20 alkali atoms. The electric dipole moments μ are inferred from these data through the use of the Langevin formula. We also parametrize a many-body force field for this problem, extending a previous work by Roques and co-workers (Phys. Rev. B 2003, 68, 205412) and investigate the most stable structures and finite temperature effects on the experimental observables. The two alkalis show similar behavior and coat the fullerene at low coverage, then form a clear segregated droplet above eight atoms. However, while the sodium droplet grows monotonically above this cross-over size, we find evidence that a second structural transition takes place in lithium-coated C60, possibly indicating a momentary resurgence of homogeneous coating." @default.
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- W2056586284 date "2007-07-11" @default.
- W2056586284 modified "2023-10-16" @default.
- W2056586284 title "Electric Dipoles and Susceptibilities of Alkali Clusters/Fullerene Complexes: Experiments and Simulations" @default.
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- W2056586284 doi "https://doi.org/10.1021/jp071126m" @default.
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