Packed to the rafters: Filling up C60 with rare gas atoms

Ralf Tonner; Gernot Frenking; Matthias Lein; Peter Schwerdtfeger

doi:10.1002/cphc.201100360

Packed to the rafters: Filling up C₆₀ with rare gas atoms

Ralf Tonner, Gernot Frenking, Matthias Lein, Peter Schwerdtfeger

Research output: Contribution to journal › Article › peer-review

15 Scopus citations

Abstract

How many rare gas atoms can be placed into a fullerene cage until the pressure becomes large enough to break the C₆₀ framework? The answer given by density functional and ab initio computations is surprising and underlines the high stability of this unique carbon structure.

Original language	English
Pages (from-to)	2081-2084
Number of pages	4
Journal	ChemPhysChem
Volume	12
Issue number	11
DOIs	https://doi.org/10.1002/cphc.201100360
State	Published - 1 Aug 2011
Externally published	Yes

Keywords

cluster compounds
cluster fullerenes
density functional calculations
endohedral fullerenes
high pressure

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10.1002/cphc.201100360

Cite this

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title = "Packed to the rafters: Filling up C60 with rare gas atoms",

abstract = "How many rare gas atoms can be placed into a fullerene cage until the pressure becomes large enough to break the C60 framework? The answer given by density functional and ab initio computations is surprising and underlines the high stability of this unique carbon structure.",

keywords = "cluster compounds, cluster fullerenes, density functional calculations, endohedral fullerenes, high pressure",

author = "Ralf Tonner and Gernot Frenking and Matthias Lein and Peter Schwerdtfeger",

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AU - Frenking, Gernot

AU - Lein, Matthias

AU - Schwerdtfeger, Peter

PY - 2011/8/1

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AB - How many rare gas atoms can be placed into a fullerene cage until the pressure becomes large enough to break the C60 framework? The answer given by density functional and ab initio computations is surprising and underlines the high stability of this unique carbon structure.

KW - cluster compounds

KW - cluster fullerenes

KW - density functional calculations

KW - endohedral fullerenes

KW - high pressure

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ER -

Packed to the rafters: Filling up C₆₀ with rare gas atoms

Abstract

Keywords

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