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; M. G. Kanatzidis

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, M. G. Kanatzidis

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

167 Scopus citations

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 language	English (US)
Article number	092105
Pages (from-to)	921051-921054
Number of pages	4
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	65
Issue number	9
State	Published - Mar 1 2002

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

Cite this

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title = "Structure of nanocrystalline materials using atomic pair distribution function analysis: Study of LiMoS2",

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 {\AA}) 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.",

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T1 - Structure of nanocrystalline materials using atomic pair distribution function analysis

T2 - Study of LiMoS2

AU - Petkov, V.

AU - Billinge, S. J L

AU - Larson, P.

AU - Mahanti, S. D.

AU - Vogt, T.

AU - Rangan, K. K.

AU - Kanatzidis, M. G.

PY - 2002/3/1

Y1 - 2002/3/1

N2 - 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.

AB - 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.

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SN - 0163-1829

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JO - Physical Review B - Condensed Matter and Materials Physics

JF - Physical Review B - Condensed Matter and Materials Physics

IS - 9

M1 - 092105

ER -

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

Abstract

ASJC Scopus subject areas

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