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Electronic structure of Li+@C60: Photoelectron spectroscopy of the Li+@C60[PF6-] salt and STM of the single Li+@C60 molecules on Cu(111)
https://repo.qst.go.jp/records/48919
https://repo.qst.go.jp/records/489197d9aaf32-8140-4b91-a513-5762204a526d
| Item type | 学術雑誌論文 / Journal Article(1) | |||||
|---|---|---|---|---|---|---|
| 公開日 | 2018-05-08 | |||||
| タイトル | ||||||
| タイトル | Electronic structure of Li+@C60: Photoelectron spectroscopy of the Li+@C60[PF6-] salt and STM of the single Li+@C60 molecules on Cu(111) | |||||
| 言語 | ||||||
| 言語 | eng | |||||
| 資源タイプ | ||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
| 資源タイプ | journal article | |||||
| アクセス権 | ||||||
| アクセス権 | metadata only access | |||||
| アクセス権URI | http://purl.org/coar/access_right/c_14cb | |||||
| 著者 |
Yamada, Y.
× Yamada, Y.× V., Kuklin A.× Sato, S.× Esaka, F.× Sumi, N.× Zhang, C.× Sasaki, M.× Kwon, E.× Kasama, Y.× V., Avramov P.× Sakai, S.× アヴラモフ パベル× 境 誠司 |
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| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | We report the scanning tunneling microscope (STM) observation of the Li+ ion endohedral C60 on Cu(111), prepared by means of evaporation of a high-purity Li+@C60[PF6−] salt. The electronic state of Li+@C60 in the Li+@C60[PF6−] salt was also determined using photoemission and X-ray absorption spectroscopy, along with the density functional theory (DFT) calculations. In the salt, Li and PF6 had nearly single positive and negative charge, respectively; thus the C60 cage was practically neutral. The salt decomposed under ultra-high vacuum while heating at 400 °C. This allowed the selective deposition of Li+@C60 on Cu(111). Although secondary-ion mass spectroscopy of the deposited Li+@C60 film showed a decrease in the Li-content during evaporation, Li+@C60 was successfully identified using STM. The DFT calculations of Li+@C60 on Cu(111) suggested that the Li+ ion was singly charged and the location of the Li+ ion was displaced in an upward direction, which altered the local density of states in an upper section of C60, especially for LUMO+2. The calculated results were mostly in agreement with the bias-dependent STM and dI/dV images. However, an inconsistency was observed between the calculation and experiments in case of empty state imaging where tip-induced displacement of the Li+ ion may occur. | |||||
| 書誌情報 |
Carbon 巻 133, p. 23-30, 発行日 2018-05 |
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| 出版者 | ||||||
| 出版者 | Elsevier | |||||
| DOI | ||||||
| 識別子タイプ | DOI | |||||
| 関連識別子 | 10.1016/j.carbon.2018.02.106 | |||||
