Structure of nanocrystalline materials using atomic pair distribution function analysis: Study of LiMoS2

V. Petkov, S. J L Billinge, P. Larson, S. D. Mahanti, T. Vogt, K. K. Rangan, Mercouri G Kanatzidis

Research output: Contribution to journalArticle

114 Citations (Scopus)

Abstract

The structure of LiMoS2 has been experimentally determined. The approach of atomic pair distribution function analysis was used because of the lack of well-defined Bragg peaks due to the short structural coherence (∼50 Å) in this intercalation compound. The reduction of Mo by Li results in Mo-Mo bonding with the formation of chains of distorted Mo-S6 octahedra. Using refined structural parameters the electronic band structure for this material has been calculated and is in good agreement with observed material properties.

Original languageEnglish
Article number092105
Pages (from-to)921051-921054
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume65
Issue number9
Publication statusPublished - Mar 1 2002

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Nanocrystalline materials
Intercalation compounds
intercalation
Band structure
Distribution functions
Materials properties
nanocrystals
distribution functions
electronics

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Petkov, V., Billinge, S. J. L., Larson, P., Mahanti, S. D., Vogt, T., Rangan, K. K., & Kanatzidis, M. G. (2002). Structure of nanocrystalline materials using atomic pair distribution function analysis: Study of LiMoS2. Physical Review B - Condensed Matter and Materials Physics, 65(9), 921051-921054. [092105].

Structure of nanocrystalline materials using atomic pair distribution function analysis : Study of LiMoS2. / Petkov, V.; Billinge, S. J L; Larson, P.; Mahanti, S. D.; Vogt, T.; Rangan, K. K.; Kanatzidis, Mercouri G.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 65, No. 9, 092105, 01.03.2002, p. 921051-921054.

Research output: Contribution to journalArticle

Petkov, V, Billinge, SJL, Larson, P, Mahanti, SD, Vogt, T, Rangan, KK & Kanatzidis, MG 2002, 'Structure of nanocrystalline materials using atomic pair distribution function analysis: Study of LiMoS2', Physical Review B - Condensed Matter and Materials Physics, vol. 65, no. 9, 092105, pp. 921051-921054.
Petkov V, Billinge SJL, Larson P, Mahanti SD, Vogt T, Rangan KK et al. Structure of nanocrystalline materials using atomic pair distribution function analysis: Study of LiMoS2. Physical Review B - Condensed Matter and Materials Physics. 2002 Mar 1;65(9):921051-921054. 092105.
Petkov, V. ; Billinge, S. J L ; Larson, P. ; Mahanti, S. D. ; Vogt, T. ; Rangan, K. K. ; Kanatzidis, Mercouri G. / Structure of nanocrystalline materials using atomic pair distribution function analysis : Study of LiMoS2. In: Physical Review B - Condensed Matter and Materials Physics. 2002 ; Vol. 65, No. 9. pp. 921051-921054.
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