title: Nanometer-size cluster formation in alkali-metal-doped fullerene layers.
abstract: Kinetic Monte Carlo methods have been used to simulate structural transformations in fullerene layers during electrochemical intercalation with alkali-metal ions (A). Special attention is paid to the thermodynamic stability of the A(x)C(60) phases. The calculations point out a phase separation in the doped fullerene layer into alkali-metal-rich and alkali-metal-depleted areas at room temperature. The final state is represented by two phases which coexist as a stable fine mixture of nanoscale particles. The instability of homogeneous layers has potentially critical impact on their electrical properties and can explain the formation of nanostructures (20-50 nm) at the fullerene-electrolyte interface. Rb(3)C(60) clusters are predicted to be larger than K(3)C(60) ones for equal mean alkali-metal concentrations. Experimental data on electrochemical metal deposition on alkali-metal-doped fullerene substrates-in particular, atomic force microscopy measurements-are also consistent with the model proposed.
authors.affiliation: Institute for Solid State and Materials Research Dresden, P.O. Box 270116, D-01171 Dresden, Germany. a.touzik@ifw-dresden.de
authors.forename: A
authors.initials: A
authors.lastname: Touzik
authors.forename: H
authors.initials: H
authors.lastname: Hermann
authors.forename: K
authors.initials: K
authors.lastname: Wetzig