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Thiolate-Protected ...
Thiolate-Protected Au-25 Superatoms as Building Blocks: Dimers and Crystals
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- Akola, J. (author)
- Jyväskylän Yliopisto,University of Jyväskylä,Tammerfors tekniska universitet,Tampere University of Technology
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- Kacprzak, K. A. (author)
- Tammerfors tekniska universitet,Tampere University of Technology
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- Lopez-Acevedo, O. (author)
- Tammerfors tekniska universitet,Tampere University of Technology
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- Walter, M. (author)
- Albert-Ludwigs-Universität Freiburg,University of Freiburg,Tammerfors tekniska universitet,Tampere University of Technology
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- Grönbeck, Henrik, 1966 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Hakkinen, H. (author)
- Jyväskylän Yliopisto,University of Jyväskylä
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(creator_code:org_t)
- 2010-04-27
- 2010
- English.
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In: Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 114:38, s. 15986-15994
- Related links:
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http://dx.doi.org/10...
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https://doi.org/10.1...
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Abstract
Subject headings
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- 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.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
Keyword
- complexes
- gold clusters
- dynamics
- molecules
- compound
- ab-initio
- mass-spectrometry
- au
- nanoparticles
- simple metal-clusters
Publication and Content Type
- art (subject category)
- ref (subject category)
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