Тип публикации: статья из журнала
Год издания: 2021
Идентификатор DOI: 10.1021/acs.jpclett.1c02246
Аннотация: Using scanning tunneling microscopy (STM) and density functional theory (DFT) calculations, we directly determine the spatial and energetic distributions of superatom molecular orbitals (SAMOs) of an Li@C-60 monolayer adsorbed on a Cu(111) surface. Utilizing a weakly bonded [Li+@C-60] NTf2- (NTf2-: bis(trifluoromethanesulfonyl)imide) salt makes it possible to produce a Li@C-60 monolayer with high concentration of Li@C-60 molecules. Because of the very uniform adsorption geometry of Li@C-60 on Cu(111), the p(z)-SAMO, populated above the upper hemisphere of the molecule, exhibits an isotropic and delocalized nature, with an energy that is significantly lower compared to that of C-60. The isotropic overlapping of p(z)-SAMOs in the condensed monolayer of Li@C-60 results in a laterally homogeneous STM image contributing to the formation of a free-electron-like states. These findings make an important step toward further basic research and applicative utilization of Li@C-60 SAMOs.
Издание
Журнал: JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Выпуск журнала: Vol. 12, Is. 32
Номера страниц: 7812-7817
ISSN журнала: 19487185
Место издания: WASHINGTON
Издатель: AMER CHEMICAL SOC
Персоны
- Sumi Naoya (Univ Tsukuba, Fac Pure & Appl Sci, Tsukuba, Ibaraki, Japan)
- Kuklin Astern (Siberian Fed Univ, Int Res Ctr Spect & Quantum Chem IRC SQC, Krasnoyarsk 660041, Russia)
- Ueno Hiroshi (Tohoku Univ, Creat Interdisciplinary Res Div, Frontier Res Inst Interdisciplinary Sci, Sendai, Miyagi 9808578, Japan; Tohoku Univ, Grad Sch Sci, Dept Chem, Sendai, Miyagi 9808578, Japan)
- Okada Hiroshi (Tohoku Univ, Grad Sch Sci, Dept Chem, Sendai, Miyagi 9808578, Japan; Idea Int Co Ltd, Sendai, Miyagi 9808579, Japan)
- Ogawa Tomoyuki (Tohoku Univ, Dept Elect Engn, Grad Sch Engn, Sendai, Miyagi 9808579, Japan)
- Kawachi Kazuhiko (Idea Int Co Ltd, Sendai, Miyagi 9808579, Japan)
- Kasama Yasuhiko (Idea Int Co Ltd, Sendai, Miyagi 9808579, Japan)
- Sasaki Masahiro (Univ Tsukuba, Fac Pure & Appl Sci, Tsukuba, Ibaraki, Japan; Univ Tsukuba, Tsukuba Res Ctr Energy Mat Sci, Grad Sch Pure & Appl Sci, Tsukuba, Ibaraki 3058573, Japan)
- Avramov Pavel (Kyungpook Natl Univ, Dept Chem, Daegu 41566, South Korea)
- Agren Hans (Uppsala Univ, Dept Phys & Astron, SE-75120 Uppsala, Sweden)
- Yamada Yoichi (Univ Tsukuba, Fac Pure & Appl Sci, Tsukuba, Ibaraki, Japan; Univ Tsukuba, R&D Ctr Innovat Mat Characterizat, Tsukuba, Ibaraki 3058573, Japan)
Вхождение в базы данных
Информация о публикациях загружается с сайта службы поддержки публикационной активности СФУ. Сообщите, если заметили неточности.