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Bond formation in titanium fulleride compounds studied through x-ray emission spectroscopy - art. no. 115117
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
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2001 (English)In: PHYSICAL REVIEW B, ISSN 0163-1829, Vol. 6311, no 11, 5117-+ Language: English p.Article in journal (Refereed) Published
Abstract [en]

The geometric and electronic structures of titanium fulleride complexes have been studied at the gradient corrected density-functional theory level by using various C60Tix (x=1,2) clusters. The cluster with the Ti atom binding on the six-ring site (eta (6

Place, publisher, year, edition, pages
AMERICAN PHYSICAL SOC , 2001. Vol. 6311, no 11, 5117-+ Language: English p.
Keyword [en]
SCATTERING SPECTRA; CLUSTERS; FULLERENES; C-60
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-37254OAI: oai:DiVA.org:uu-37254DiVA: diva2:65153
Note
Addresses: Nyberg M, Stockholm Univ, Dept Phys, POB 6730, S-11385 Stockholm, Sweden. Stockholm Univ, Dept Phys, S-11385 Stockholm, Sweden. Univ Uppsala, Dept Phys, S-75121 Uppsala, Sweden. Jilin Univ, Inst Atom & Mol Phys, State Key Lab Superhard Mat, ChaAvailable from: 2008-10-17 Created: 2008-10-17 Last updated: 2012-04-02

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