Clusters of fullerene molecules

被引:0
作者
Alonso, JA [1 ]
Gallego, LJ [1 ]
机构
[1] UNIV SANTIAGO DE COMPOSTELA, FAC FIS, DEPT FIS MAT CONDENSADA, E-15706 LA CORUNA, SPAIN
来源
CLUSTER ASSEMBLED MATERIALS | 1996年 / 232卷
关键词
clusters; fullerite; coating; alkali; alkaline-earth;
D O I
10.4028/www.scientific.net/MSF.232.155
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Work on clusters of C-60 molecules is reviewed. Mass spectrometry experiments and molecular dynamics simulations indicate that the (C-60)(N) clusters adopt an icosahedral structure, that is, a configuration different from that in the solid fullerite crystal. A very large N is expected before the transition to the crystal structure occurs. The coating of C-60 or (C-60)(N) by alkali metal atoms M (M=Li, Na, K, Rb) indicates an important charge transfer to the fullerene molecules. The unit C(60)M(6) is particularly stable, and the corresponding doped fullerite with stoichiometry C(60)M(6) c0uld be considered as a cluster assembled solid. In general, the stability of alkali metal coated (C-60)(N) clusters seems to be determined by its electronic configuration, with the only exception of C60Li12, which appears to be due to its particular geometrical arrangement. Geometrical effects control also the coating by alkaline-earth atoms.
引用
收藏
页码:155 / 172
页数:18
相关论文
共 54 条
[1]  
Allen M. P., 1990, COMPUTER SIMULATION
[2]   1ST PRINCIPLES STUDY OF POTASSIUM ADSORPTION ON GRAPHITE [J].
ANCILOTTO, F ;
TOIGO, F .
PHYSICAL REVIEW B, 1993, 47 (20) :13713-13721
[3]   DOPING-INDUCED DISTORTIONS AND BONDING IN K6C60 AND RB6C60 [J].
ANDREONI, W ;
GYGI, F ;
PARRINELLO, M .
PHYSICAL REVIEW LETTERS, 1992, 68 (06) :823-826
[4]   FULLERENES - ELUSIVE DIFFUSIVE LIQUIDS [J].
ASHCROFT, NW .
NATURE, 1993, 365 (6445) :387-388
[5]   MNDO STUDY OF LARGE CARBON CLUSTERS [J].
BAKOWIES, D ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (10) :3704-3714
[6]   ON FINDING TRANSITION-STATES [J].
CERJAN, CJ ;
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (06) :2800-2806
[7]   ELECTROCHEMICAL INTERCALATION OF LITHIUM INTO SOLID C60 [J].
CHABRE, Y ;
DJURADO, D ;
ARMAND, M ;
ROMANOW, WR ;
COUSTEL, N ;
MCCAULEY, JP ;
FISCHER, JE ;
SMITH, AB .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992, 114 (02) :764-766
[8]   QUASI-ONE-DIMENSIONAL ELECTRONIC-STRUCTURE IN ORTHORHOMBIC RBC60 [J].
CHAUVET, O ;
OSZLANYI, G ;
FORRO, L ;
STEPHENS, PW ;
TEGZE, M ;
FAIGEL, G ;
JANOSSY, A .
PHYSICAL REVIEW LETTERS, 1994, 72 (17) :2721-2724
[9]   FORMATION ENERGY OF ALKALI-METAL-DOPED FULLERITE COMPOUNDS A6C60 [J].
CHEN, HS ;
KORTAN, AR ;
HADDON, RC ;
KOPYLOV, N .
JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (13) :3088-3090
[10]   PREDICTION OF THE PHASE-DIAGRAM OF RIGID C-60 MOLECULES [J].
CHENG, A ;
KLEIN, ML ;
CACCAMO, C .
PHYSICAL REVIEW LETTERS, 1993, 71 (08) :1200-1203