Synthesis and properties of C60 fullerite intercalated by acetylene

被引：5

作者：

Shulga, Y. M. ^{[2
]}

Martynenko, V. M. ^{[2
]}

Baskakov, S. A. ^{[2
]}

Trukhanenok, A. N. ^{[2
]}

Anokhin, E. M. ^{[3
]}

Maksimychev, A. V. ^{[3
]}

Khasanov, S. S. ^{[4
]}

Belay, K. G. ^{[1
]}

Weatherford, C. A. ^{[1
]}

Gutsev, G. L. ^{[1
]}

机构：

[1] Florida A&M Univ, Dept Phys, Tallahassee, FL 32307 USA

[2] Russian Acad Sci, Inst Problems Chem Phys, Chernogolovka 142432, Russia

[3] State Univ, Moscow Inst Phys & Technol, Dolgoprudnyi 141700, Russia

[4] Russian Acad Sci, Inst Solid State Phys, Chernogolovka 142432, Russia

来源：

CHEMICAL PHYSICS LETTERS | 2009年 / 483卷 / 1-3期

基金：

美国国家科学基金会;

关键词：

THERMAL-EXPANSION; LOW-TEMPERATURE; OXYGEN; POLYAMORPHISM; FULLERENES; ACCURATE; O-2; N-2; AR;

D O I：

10.1016/j.cplett.2009.10.048

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

C-60 fullerite intercalated by acetylene was synthesized for the first time and studied by a number of experimental methods. It is found that the intercalate obtained corresponds to (C2H2)(0.23)C-60 and possesses an fcc lattice. We also performed optimizations of the C-60 + C2H2 complex using density functional theory with the generalized gradient approximation. Two complexes were studied corresponding to acetylene chemisorbed by or inserted inside C-60. Both complexes do correspond to local minima that are lower than the dissociation limit to C-60 and C2H2. However, these complexes were not observed in experiment most likely because of their high energy barriers. Published by Elsevier B.V.

引用

页码：115 / 119

页数：5

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