4.8 Article

Liquid-liquid phase coexistence in gold clusters:: 2D or not 2D?

Journal

PHYSICAL REVIEW LETTERS
Volume 98, Issue 1, Pages -

Publisher

AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevLett.98.015701

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The thermodynamics of gold cluster anions (Au-N(-), N=11,...,14) is investigated using quantum molecular dynamics. Our simulations suggest that Au-N(-) may exhibit a novel, freestanding planar liquid phase which dynamically coexists with a normal three-dimensional liquid. Upon cooling with experimentally realizable cooling rates, the entropy-favored three-dimensional liquid clusters often supercool and solidify into the wrong dimensionality. This indicates that experimental validation of theoretically predicted Au-N(-) ground states might be more complicated than hitherto expected.

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