Chirality in bare and passivated gold nanoclusters

By I. Garzón, J. Reyes-Nava, J. Rodriguez-Hernandez, I. Sigal, M. Beltran, K. Michaelian. 2002

147 citations recorded by the source corpus.

Detailed knowledge of the lattice structure, shape, morphology, surface structure, and bonding of bare and passivated gold clusters is fundamental to predict and understand their electronic, optical, and other physical and chemical properties. This information is essential to optimizing their utilization as novel nanocatalysts, 1 and as building-blocks of new molecular nanostructured materials, 2 with potential applications in nanoelectronics 3 and biological diagnostics. 4 An effective theoretical approach to determine gold cluster structures is to combine genetic algorithms and many-body potentials ~to perform global structural optimizations!, and first-principles density functional theory ~to confirm the energy ordering of the local minima!. Using this procedure we recently found many topologically interesting disordered gold nanoclusters with energy near or below the lowestenergy ordered isomer. 5‐ 8 The structures of these clusters

Subfields: Electronic, Optical and Magnetic Materials, Materials Chemistry, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/2df2401e85ec771004dc74e6210ab7c63f36c9a6

Citations in the corpus

• Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects (2005, unknown): “…follows from the densityfunctional relaxation at N = 75 by Michaelian et al. (1999), who found that a low-symmetry structure is lower in energy than the (2, 2, 2) Marks Dh, in contrast with 7 See for example Doye and Wales (1998b), Li et al. (2000a), Darby et al. (2002), Garzón et al. (2002).”