Endohedral Fullerene Ce@C-82 on Cu(111): Orientation, Electronic Structure, and Electron-Vibration Coupling

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F13%3A10192055" target="_blank" >RIV/00216208:11320/13:10192055 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1021/jp305438h" target="_blank" >http://dx.doi.org/10.1021/jp305438h</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/jp305438h" target="_blank" >10.1021/jp305438h</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Endohedral Fullerene Ce@C-82 on Cu(111): Orientation, Electronic Structure, and Electron-Vibration Coupling

Popis výsledku v původním jazyce

Structural, electronic, and vibrational properties of the endohedral fullerene Ce@C-82 on Cu(111) have been studied by scanning tunneling microscopy (STM) and density functional theory (DFT). Ce@C-82 forms islands on the substrate. Our STM measurements show relatively large differences in morphology and electron spectra of molecules within these islands indicating multiple molecular orientations on the substrate, while the vibrational spectra are more uniform. We have determined molecular orientations by comparing STM and OFT molecular morphology, and we have calculated Ce@C-82 bound to Cu(111) and found that it is chemisorbed. We show that Ce@C-82 adopts orientations on the surface that enables Ce to remain at its most favorable binding site inside C-82. The effect of chemisorption on the structural and electronic properties of Ce@C-82 is thus small, and the orientations are limited to configurations with Ce in the upper hemisphere of the molecular configurational space. We show that

Název v anglickém jazyce

Endohedral Fullerene Ce@C-82 on Cu(111): Orientation, Electronic Structure, and Electron-Vibration Coupling

Popis výsledku anglicky

Structural, electronic, and vibrational properties of the endohedral fullerene Ce@C-82 on Cu(111) have been studied by scanning tunneling microscopy (STM) and density functional theory (DFT). Ce@C-82 forms islands on the substrate. Our STM measurements show relatively large differences in morphology and electron spectra of molecules within these islands indicating multiple molecular orientations on the substrate, while the vibrational spectra are more uniform. We have determined molecular orientations by comparing STM and OFT molecular morphology, and we have calculated Ce@C-82 bound to Cu(111) and found that it is chemisorbed. We show that Ce@C-82 adopts orientations on the surface that enables Ce to remain at its most favorable binding site inside C-82. The effect of chemisorption on the structural and electronic properties of Ce@C-82 is thus small, and the orientations are limited to configurations with Ce in the upper hemisphere of the molecular configurational space. We show that

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BM - Fyzika pevných látek a magnetismus

OECD FORD obor

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Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2013

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Physical Chemistry C

ISSN

1932-7447

e-ISSN

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Svazek periodika

117

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

1656-1662

Kód UT WoS článku

000314492400015

EID výsledku v databázi Scopus

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