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Thiolate-Protected Au-25 Superatoms as Building Blocks: Dimers and Crystals

J. Akola ; K. A. Kacprzak ; O. Lopez-Acevedo ; M. Walter ; Henrik Grönbeck (Institutionen för teknisk fysik, Kemisk fysik ; Kompetenscentrum katalys (KCK)) ; H. Hakkinen
Journal of Physical Chemistry C (1932-7447). Vol. 114 (2010), 38, p. 15986-15994.
[Artikel, refereegranskad vetenskaplig]

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.

Nyckelord: simple metal-clusters, gold clusters, mass-spectrometry, ab-initio, nanoparticles, dynamics, au, complexes, molecules, compound

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Denna post skapades 2010-10-14. Senast ändrad 2017-09-12.
CPL Pubid: 127585


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Institutioner (Chalmers)

Institutionen för teknisk fysik, Kemisk fysik (1900-2015)
Kompetenscentrum katalys (KCK)


Nanovetenskap och nanoteknik

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