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Endohedral (X@ZniSi)i=4-160,± Nanoclusters, X = Li, Na, K, Cl, Br
Örebro University, Department of Natural Sciences. (Biophysical chemistry)
Örebro University, Department of Natural Sciences. (Biophysical chemistry)
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2007 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 111, no 9, p. 3560-3565Article in journal (Refereed) Published
Abstract [en]

Endohedral (X@ZniSi)q structures have been characterized, with X being alkali metals such as Li, Na, and K or halogens such as Cl and Br, 4 > i > 16, and q = -1, 0, 1. In these structures, the atoms are trapped inside previously characterized spheroid hollow structures with positively charged Zn atoms and negatively charged S atoms. Moreover, although the radii of all atoms are similar, Zn atoms are located more inside the structure. The alkali metals are found to be trapped inside a larger number of spheroid structures than the halogens. The parameters determining the stability of the endohedral structures are the charge and size of the trapped atom, along with the sphericity of the cluster.

Place, publisher, year, edition, pages
Washington, DC: American Chemical Society , 2007. Vol. 111, no 9, p. 3560-3565
National Category
Natural Sciences Chemical Sciences
Research subject
Chemistry
Identifiers
URN: urn:nbn:se:oru:diva-4304DOI: 10.1021/jp0668697OAI: oai:DiVA.org:oru-4304DiVA, id: diva2:138603
Available from: 2007-12-17 Created: 2007-12-17 Last updated: 2017-12-14Bibliographically approved

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Matxain, Jon M.Eriksson, Leif A.

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