Physical adsorption of Ar and CO2 on C60 fullerene
被引:27
作者:
Martínez-Alonso, A
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机构:Natl Univ La Plata, CONICET, CIC, INIFTA,Inst Invest Fisicoquim Teor & Aplicadas, RA-1900 La Plata, Argentina
Martínez-Alonso, A
Tascón, JMD
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机构:Natl Univ La Plata, CONICET, CIC, INIFTA,Inst Invest Fisicoquim Teor & Aplicadas, RA-1900 La Plata, Argentina
Tascón, JMD
Bottani, EJ
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机构:Natl Univ La Plata, CONICET, CIC, INIFTA,Inst Invest Fisicoquim Teor & Aplicadas, RA-1900 La Plata, Argentina
Bottani, EJ
机构:
[1] Natl Univ La Plata, CONICET, CIC, INIFTA,Inst Invest Fisicoquim Teor & Aplicadas, RA-1900 La Plata, Argentina
[2] CSIC, Inst Nacl Carbon, E-33080 Oviedo, Spain
来源:
JOURNAL OF PHYSICAL CHEMISTRY B
|
2001年
/
105卷
/
01期
关键词:
D O I:
10.1021/jp002047c
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:
Ar and CO2 physisorption on a very well crystallized sample of fullerene C-60 was studied by means of Monte Carlo computer simulations. Ar and CO2 experimental isotherms were determined on high-purity C60 to fit the potential parameters. Analysis of the structure of the adsorbed film indicated that both gases are adsorbed in the voids of the C-60 structure in a solid state with densities slightly larger than the bulk solid. Both gases exhibited a behavior similar to nitrogen. The cross-sectional area found for Ar is 0.121 nm(2). The existence of three adsorption sites found previously has been confirmed.