Electronic structure of Li+@C-60: Photoelectron spectroscopy of the Li+@C-60[PF6-] salt and STM of the single Li+@C-60 molecules on Cu(111)

Тип публикации: статья из журнала

Год издания: 2018

Идентификатор DOI: 10.1016/j.carbon.2018.02.106

Аннотация: We report the scanning tunneling microscope (STM) observation of the Li+ ion endohedral C-60 on Cu(111), prepared by means of evaporation of a high-purity Li+@C-60[PF6-%salt. The electronic state of Li+@C-60 in the Li+@C-60[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 C-60 cage was practically neutral. The salt decomposed under ultra-high vacuum while heating at 400 degrees C. This allowed the selective deposition of Li+@C-60 on Cu(111). Although secondary-ion mass spectroscopy of the deposited Li+@C-60 film showed a decrease in the Li-content during evaporation, Li+@C-60 was successfully identified using STM. The DFT calculations of Li+@C-60 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 C-60, 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. (C) 2018 Published by Elsevier Ltd.

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Издание

Журнал: CARBON

Выпуск журнала: Vol. 133

Номера страниц: 23-30

ISSN журнала: 00086223

Место издания: OXFORD

Издатель: PERGAMON-ELSEVIER SCIENCE LTD

Авторы

  • Yamada Yoichi (Univ Tsukuba, Fac Pure & Appl Sci, 1-1-1 Tennodai, Tsukuba, Ibaraki 3058573, Japan)
  • Kuklin Artem V. (Siberian Fed Univ, 79 Svobodny Pr, Krasnoyarsk 660041, Russia; Kyungpook Natl Univ, Coll Nat Sci, Dept Chem, 80 Daehakro, Bukgu 41556, Daegu, South Korea)
  • Sato Sho (Univ Tsukuba, Fac Pure & Appl Sci, 1-1-1 Tennodai, Tsukuba, Ibaraki 3058573, Japan)
  • Esaka Fumitaka (Japan Atom Energy Agcy, 2-4 Shirakata, Tokai, Ibaraki 3191195, Japan)
  • Sumi Naoto (Univ Tsukuba, Fac Pure & Appl Sci, 1-1-1 Tennodai, Tsukuba, Ibaraki 3058573, Japan)
  • Zhang Chunyang (Univ Tsukuba, Fac Pure & Appl Sci, 1-1-1 Tennodai, Tsukuba, Ibaraki 3058573, Japan)
  • Sasaki Masahiro (Univ Tsukuba, Fac Pure & Appl Sci, 1-1-1 Tennodai, Tsukuba, Ibaraki 3058573, Japan; Tsukuba Res Ctr Energy Mat Sci TREMS, 1-1-1 Tennodai, Tsukuba, Ibaraki 3058571, Japan)
  • Kwon Eunsung (Tohoku Univ, Res & Analyt Ctr Gaint Mol, 6-3 Aoba, Sendai, Miyagi 9808578, Japan)
  • Kasama Yukihiko (Idea Int, 6-3 Aoba, Sendai, Miyagi 9808578, Japan)
  • Avramov Pavel V. (Kyungpook Natl Univ, Coll Nat Sci, Dept Chem, 80 Daehakro, Bukgu 41556, Daegu, South Korea)
  • Sakai Seiji (Natl Inst Quantum & Radiol Sci & Technol, 2-1 Shirakata, Tokai, Ibaraki 3191106, Japan)

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