Structure and properties of deeply Li-doped Polyacenic Semiconductor (PAS)

Tokio Yamabe; Kazuyoshi Tanaka; Hiroki Ago; Kazunari Yoshizawa; Shizukuni Yata

doi:10.1016/s0379-6779(97)81181-2

Structure and properties of deeply Li-doped Polyacenic Semiconductor (PAS)

Tokio Yamabe, Kazuyoshi Tanaka, Hiroki Ago, Kazunari Yoshizawa, Shizukuni Yata

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

10 Citations (Scopus)

Abstract

As an anode material of lithium rechargeable battery, amorphous carbon materials have been studied extensively because of their high electrochemical performance. The polyacenic semiconductor (PAS) materials prepared from phenol resin at relatively low temperatures (500-1000 °C) show a highly Li-doped state up to C₂Li state without liberation of Li cluster. The Li storage mechanism as well as the large hysteresis observed in the voltage-capacity profile of the amorphous carbon materials are still the subjects of controversy. We review the proposed models of Li storage mechanism and present the results of our molecular orbital (MO) calculations. It will be shown that the nature of Li dopant is strongly dependent on the position of Li dopant. Possibility of the formation of small Li clusters is also discussed.

Original language	English
Pages (from-to)	2411-2414
Number of pages	4
Journal	Synthetic Metals
Volume	86
Issue number	1-3
DOIs	https://doi.org/10.1016/s0379-6779(97)81181-2
Publication status	Published - Feb 28 1997
Externally published	Yes

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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title = "Structure and properties of deeply Li-doped Polyacenic Semiconductor (PAS)",

abstract = "As an anode material of lithium rechargeable battery, amorphous carbon materials have been studied extensively because of their high electrochemical performance. The polyacenic semiconductor (PAS) materials prepared from phenol resin at relatively low temperatures (500-1000 °C) show a highly Li-doped state up to C2Li state without liberation of Li cluster. The Li storage mechanism as well as the large hysteresis observed in the voltage-capacity profile of the amorphous carbon materials are still the subjects of controversy. We review the proposed models of Li storage mechanism and present the results of our molecular orbital (MO) calculations. It will be shown that the nature of Li dopant is strongly dependent on the position of Li dopant. Possibility of the formation of small Li clusters is also discussed.",

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T1 - Structure and properties of deeply Li-doped Polyacenic Semiconductor (PAS)

AU - Yamabe, Tokio

AU - Tanaka, Kazuyoshi

AU - Ago, Hiroki

AU - Yoshizawa, Kazunari

AU - Yata, Shizukuni

PY - 1997/2/28

Y1 - 1997/2/28

N2 - As an anode material of lithium rechargeable battery, amorphous carbon materials have been studied extensively because of their high electrochemical performance. The polyacenic semiconductor (PAS) materials prepared from phenol resin at relatively low temperatures (500-1000 °C) show a highly Li-doped state up to C2Li state without liberation of Li cluster. The Li storage mechanism as well as the large hysteresis observed in the voltage-capacity profile of the amorphous carbon materials are still the subjects of controversy. We review the proposed models of Li storage mechanism and present the results of our molecular orbital (MO) calculations. It will be shown that the nature of Li dopant is strongly dependent on the position of Li dopant. Possibility of the formation of small Li clusters is also discussed.

AB - As an anode material of lithium rechargeable battery, amorphous carbon materials have been studied extensively because of their high electrochemical performance. The polyacenic semiconductor (PAS) materials prepared from phenol resin at relatively low temperatures (500-1000 °C) show a highly Li-doped state up to C2Li state without liberation of Li cluster. The Li storage mechanism as well as the large hysteresis observed in the voltage-capacity profile of the amorphous carbon materials are still the subjects of controversy. We review the proposed models of Li storage mechanism and present the results of our molecular orbital (MO) calculations. It will be shown that the nature of Li dopant is strongly dependent on the position of Li dopant. Possibility of the formation of small Li clusters is also discussed.

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Structure and properties of deeply Li-doped Polyacenic Semiconductor (PAS)

Abstract

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