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Thiolate-Protected ...
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Akola, J.Jyväskylän Yliopisto,University of Jyväskylä,Tammerfors tekniska universitet,Tampere University of Technology
(author)
Thiolate-Protected Au-25 Superatoms as Building Blocks: Dimers and Crystals
- Article/chapterEnglish2010
Publisher, publication year, extent ...
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2010-04-27
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American Chemical Society (ACS),2010
Numbers
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LIBRIS-ID:oai:research.chalmers.se:7dc6b2c5-0101-4fc4-8c11-4ed789260ac9
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https://doi.org/10.1021/jp1015438DOI
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https://research.chalmers.se/publication/127585URI
Supplementary language notes
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Language:English
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Summary in:English
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Subject category:art swepub-publicationtype
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Subject category:ref swepub-contenttype
Notes
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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.
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Added entries (persons, corporate bodies, meetings, titles ...)
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Kacprzak, K. A.Tammerfors tekniska universitet,Tampere University of Technology
(author)
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Lopez-Acevedo, O.Tammerfors tekniska universitet,Tampere University of Technology
(author)
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Walter, M.Albert-Ludwigs-Universität Freiburg,University of Freiburg,Tammerfors tekniska universitet,Tampere University of Technology
(author)
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Grönbeck, Henrik,1966Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)ghj
(author)
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Hakkinen, H.Jyväskylän Yliopisto,University of Jyväskylä
(author)
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Jyväskylän YliopistoTammerfors tekniska universitet
(creator_code:org_t)
Related titles
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In:Journal of Physical Chemistry C: American Chemical Society (ACS)114:38, s. 15986-159941932-74471932-7455
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