Semimetal or Semiconductor: The Nature of High Intrinsic Electrical Conductivity in TiS2
文献类型：期刊论文
| 作者 | H.Wang; Z.Z.Qiu; W.Y.Xia; C.Ming; Y.Y.Han; L.Cao; J.Lu |
| 刊名 | Journal of Physical Chemistry Letters
 |
| 出版日期 | 2019 |
| 卷号 | 10期号:22页码:6996-7001 |
| 关键词 | angle-resolved photoemission,electronic-structure,optical-properties,lithium batteries,quasi-particle,band-structure,intercalation,compounds,titanium disulfide,pseudopotentials,refinement,Chemistry,Science & Technology - Other Topics,Materials Science,Physics |
| ISSN号 | 1948-7185 |
| DOI | 10.1021/acs.jpclett.9b02710 |
| 英文摘要 | As an intensively studied electrode material for secondary batteries, TiS2 is known to exhibit high electrical conductivity without extrinsic doping. However, the origin of this high conductivity, either being a semimetal or a heavily self-doped semiconductor, has been debated for several decades. Here, combining quasi-particle GW calculations, density functional theory (DFT) study on intrinsic defects, and scanning tunneling microscopy/spectroscopy (STM/STS) measurements, we conclude that stoichiometric TiS2 is a semiconductor with an indirect band gap of about 0.5 eV. The high conductivity of TiS2 is therefore caused by heavy self-doping. Our DFT results suggest that the dominant donor defect that is responsible for the self-doping under thermal equilibrium is Ti interstitial, which is corroborated by our STM/STS measurements. |
| 语种 | 英语 |
| 源URL | [http://ir.ciomp.ac.cn/handle/181722/63015]  |
| 专题 | 中国科学院长春光学精密机械与物理研究所 |
| 推荐引用方式 GB/T 7714 | H.Wang,Z.Z.Qiu,W.Y.Xia,et al. Semimetal or Semiconductor: The Nature of High Intrinsic Electrical Conductivity in TiS2[J]. Journal of Physical Chemistry Letters,2019,10(22):6996-7001. |
| APA | H.Wang.,Z.Z.Qiu.,W.Y.Xia.,C.Ming.,Y.Y.Han.,...&J.Lu.(2019).Semimetal or Semiconductor: The Nature of High Intrinsic Electrical Conductivity in TiS2.Journal of Physical Chemistry Letters,10(22),6996-7001. |
| MLA | H.Wang,et al."Semimetal or Semiconductor: The Nature of High Intrinsic Electrical Conductivity in TiS2".Journal of Physical Chemistry Letters 10.22(2019):6996-7001. |
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