Thiolate-Protected Au-25 Superatoms as Building Blocks: Dimers and Crystals
Artikel i vetenskaplig tidskrift, 2010

A particularly stable thiolate-protected gold nanocluster, Au-25(SR)(18), was structurally characterized from X-ray crystallography in 2008, and concomitantly its electronic and optical properties were analyzed via density functional theory. The robust geometry and a well-understood electronic structure of this cluster motivate explorations of properties of extended systems made out of Au-25(SR)(18) building blocks. As a first step in this direction, we analyze here structural, vibrational, electronic, and optical properties of the Au-25 cluster anion as it was observed in the crystalline environment and predict properties of cluster dimers, where the Au-25 units are linked together. via an aromatic dithiolate linker. We show that properties of each Au-25 unit of the dimer can be quite independently modified from the other by doping with a nonmagnetic (Pd) or magnetic (Mn) metal atom. We anticipate that material systems with interesting properties could be made from these building blocks, provided that a suitable chemistry for their controlled linking can be found.

complexes

gold clusters

dynamics

molecules

compound

ab-initio

mass-spectrometry

au

nanoparticles

simple metal-clusters

Författare

J. Akola

Jyväskylän Yliopisto

Tammerfors tekniska universitet

K. A. Kacprzak

Tammerfors tekniska universitet

O. Lopez-Acevedo

Tammerfors tekniska universitet

M. Walter

Albert-Ludwigs-Universität Freiburg

Tammerfors tekniska universitet

Henrik Grönbeck

Kompetenscentrum katalys (KCK)

Chalmers, Teknisk fysik, Kemisk fysik

H. Hakkinen

Jyväskylän Yliopisto

Journal of Physical Chemistry C

1932-7447 (ISSN) 1932-7455 (eISSN)

Vol. 114 38 15986-15994

Styrkeområden

Nanovetenskap och nanoteknik

Materialvetenskap

Ämneskategorier

Fysik

Kemi

Fundament

Grundläggande vetenskaper

DOI

10.1021/jp1015438