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.

molecules

ab-initio

gold clusters

mass-spectrometry

dynamics

simple metal-clusters

complexes

compound

nanoparticles

au

Författare

J. Akola

Jyvaskylan Yliopisto

Tampere University of Technology

K. A. Kacprzak

Tampere University of Technology

O. Lopez-Acevedo

Tampere University of Technology

M. Walter

Universitat Freiburg im Breisgau

Tampere University of Technology

Henrik Grönbeck

Chalmers, Teknisk fysik, Kemisk fysik

Kompetenscentrum katalys (KCK)

H. Hakkinen

Jyvaskylan Yliopisto

Journal of Physical Chemistry C

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

Vol. 114 15986-15994

Styrkeområden

Nanovetenskap och nanoteknik

Materialvetenskap

Ämneskategorier

Fysik

Kemi

Fundament

Grundläggande vetenskaper

DOI

10.1021/jp1015438