Li ion diffusion in the anode material Li12Si7: Ultrafast quasi-1D diffusion and two distinct fast 3D jump processes separately revealed by 7Li NMR relaxometry

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

Autorschaft

  • Alexander Kuhn
  • Puravankara Sreeraj
  • Rainer Pöttgen
  • Hans Dieter Wiemhöfer
  • Martin Wilkening
  • Paul Heitjans

Externe Organisationen

  • Westfälische Wilhelms-Universität Münster (WWU)
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Details

OriginalspracheEnglisch
Seiten (von - bis)11018-11021
Seitenumfang4
FachzeitschriftJournal of the American Chemical Society
Jahrgang133
Ausgabenummer29
PublikationsstatusVeröffentlicht - 27 Juli 2011

Abstract

The intermetallic compounds LixSiy have attracted considerable interest because of their potential use as anode materials in Li ion batteries. In addition, the crystalline phases in the Li - Si phase diagram turn out to be outstanding model systems for the measurement of fast Li ion diffusion in solids with complex structures. In the present work, the Li self-diffusivity in crystalline Li12Si7 was thoroughly probed by 7Li NMR spin - lattice relaxation (SLR) measurements. Variable-temperature and -frequency NMR measurements performed in both the laboratory and rotating frames of reference revealed three distinct diffusion processes in Li12Si7. The diffusion process characterized by the highest Li diffusivity seems to be confined to one dimension. It is one of the fastest motions of Li ions in a solid at low temperatures reported to date. The Li jump rates of this hopping process followed Arrhenius behavior; the jump rate was 105 s- 1 at 150 K and reached 10 9 s- 1 at 425 K, indicating an activation energy as low as 0.18 eV.

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Li ion diffusion in the anode material Li12Si7: Ultrafast quasi-1D diffusion and two distinct fast 3D jump processes separately revealed by 7Li NMR relaxometry. / Kuhn, Alexander; Sreeraj, Puravankara; Pöttgen, Rainer et al.
in: Journal of the American Chemical Society, Jahrgang 133, Nr. 29, 27.07.2011, S. 11018-11021.

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

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abstract = "The intermetallic compounds LixSiy have attracted considerable interest because of their potential use as anode materials in Li ion batteries. In addition, the crystalline phases in the Li - Si phase diagram turn out to be outstanding model systems for the measurement of fast Li ion diffusion in solids with complex structures. In the present work, the Li self-diffusivity in crystalline Li12Si7 was thoroughly probed by 7Li NMR spin - lattice relaxation (SLR) measurements. Variable-temperature and -frequency NMR measurements performed in both the laboratory and rotating frames of reference revealed three distinct diffusion processes in Li12Si7. The diffusion process characterized by the highest Li diffusivity seems to be confined to one dimension. It is one of the fastest motions of Li ions in a solid at low temperatures reported to date. The Li jump rates of this hopping process followed Arrhenius behavior; the jump rate was 105 s- 1 at 150 K and reached 10 9 s- 1 at 425 K, indicating an activation energy as low as 0.18 eV.",
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Download

TY - JOUR

T1 - Li ion diffusion in the anode material Li12Si7

T2 - Ultrafast quasi-1D diffusion and two distinct fast 3D jump processes separately revealed by 7Li NMR relaxometry

AU - Kuhn, Alexander

AU - Sreeraj, Puravankara

AU - Pöttgen, Rainer

AU - Wiemhöfer, Hans Dieter

AU - Wilkening, Martin

AU - Heitjans, Paul

PY - 2011/7/27

Y1 - 2011/7/27

N2 - The intermetallic compounds LixSiy have attracted considerable interest because of their potential use as anode materials in Li ion batteries. In addition, the crystalline phases in the Li - Si phase diagram turn out to be outstanding model systems for the measurement of fast Li ion diffusion in solids with complex structures. In the present work, the Li self-diffusivity in crystalline Li12Si7 was thoroughly probed by 7Li NMR spin - lattice relaxation (SLR) measurements. Variable-temperature and -frequency NMR measurements performed in both the laboratory and rotating frames of reference revealed three distinct diffusion processes in Li12Si7. The diffusion process characterized by the highest Li diffusivity seems to be confined to one dimension. It is one of the fastest motions of Li ions in a solid at low temperatures reported to date. The Li jump rates of this hopping process followed Arrhenius behavior; the jump rate was 105 s- 1 at 150 K and reached 10 9 s- 1 at 425 K, indicating an activation energy as low as 0.18 eV.

AB - The intermetallic compounds LixSiy have attracted considerable interest because of their potential use as anode materials in Li ion batteries. In addition, the crystalline phases in the Li - Si phase diagram turn out to be outstanding model systems for the measurement of fast Li ion diffusion in solids with complex structures. In the present work, the Li self-diffusivity in crystalline Li12Si7 was thoroughly probed by 7Li NMR spin - lattice relaxation (SLR) measurements. Variable-temperature and -frequency NMR measurements performed in both the laboratory and rotating frames of reference revealed three distinct diffusion processes in Li12Si7. The diffusion process characterized by the highest Li diffusivity seems to be confined to one dimension. It is one of the fastest motions of Li ions in a solid at low temperatures reported to date. The Li jump rates of this hopping process followed Arrhenius behavior; the jump rate was 105 s- 1 at 150 K and reached 10 9 s- 1 at 425 K, indicating an activation energy as low as 0.18 eV.

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DO - 10.1021/ja2020108

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VL - 133

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EP - 11021

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

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