Geometry and bonding in small (C60)nNim clusters

被引：47
作者：
Andriotis, AN
Menon, M
机构：
[1] Fdn Res & Technol Hellas, Inst Elect Struct & Laser, Iraklion 71110, Crete, Greece
[2] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA
[3] Univ Kentucky, Ctr Computat Sci, Lexington, KY 40506 USA
来源：
PHYSICAL REVIEW B | 1999年 / 60卷 / 07期
关键词：
D O I：
10.1103/PhysRevB.60.4521
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Small Ni-m(C-60)(n) clusters with n+m less than or equal to 4 are studied using the tight-binding molecular-dynamics method generalized to treat heteronuclear systems. Our results confirm recent experimental deduction of the bonding behavior of Ni towards C-60. The direction of the charge transfer is found to depend on the geometry of thee Ni-m(C-60)(n) cluster. Furthermore, the present results reveal a striking dissimilarity in the bonding behavior between Ni-C-60 and Ni-graphite systems. [S0163-1829(99)01531-3].
引用
收藏
页码：4521 / 4524
页数：4
相关论文
共 18 条
  • [1] Tight-binding molecular dynamics study of transition metal carbide clusters
    Andriotis, AN
    Menon, M
    Froudakis, GE
    Lowther, JE
    [J]. CHEMICAL PHYSICS LETTERS, 1999, 301 (5-6) : 503 - 508
  • [2] A tight-binding molecular dynamics study of NimSin binary clusters
    Andriotis, AN
    Menon, M
    Froudakis, GE
    Fthenakis, Z
    Lowther, JE
    [J]. CHEMICAL PHYSICS LETTERS, 1998, 292 (4-6) : 487 - 492
  • [3] Tight-binding molecular-dynamics study of ferromagnetic clusters
    Andriotis, AN
    Menon, M
    [J]. PHYSICAL REVIEW B, 1998, 57 (16) : 10069 - 10081
  • [4] ANDRIOTIS AN, UNPUB
  • [5] Cage substitution in metal-fullerene clusters
    Branz, W
    Billas, IML
    Malinowski, N
    Tast, F
    Heinebrodt, M
    Martin, TP
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (09) : 3425 - 3430
  • [6] Chemisorption and fragmentation of C-60 on Pt(111) and Ni(110)
    Cepek, C
    Goldoni, A
    Modesti, S
    [J]. PHYSICAL REVIEW B, 1996, 53 (11): : 7466 - 7472
  • [7] Harrison W.A., 1980, Electronic Structure and the Properties of Solids: The Physics of the Chemical Bond
  • [8] CHARGE-TRANSFER AND STRUCTURE IN C-60 ADSORPTION ON METAL-SURFACES
    HUNT, MRC
    MODESTI, S
    RUDOLF, P
    PALMER, RE
    [J]. PHYSICAL REVIEW B, 1995, 51 (15): : 10039 - 10047
  • [9] Formation of cobalt-C60 clusters:: Tricapped Co(C60)3 unit
    Kurikawa, T
    Nagao, S
    Miyajima, K
    Nakajima, A
    Kaya, K
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (10) : 1743 - 1747
  • [10] Stability of photo-excited C-60 chemisorbed on Ni(III)
    Kusch, C
    Winter, B
    Mitzner, R
    Silva, AG
    Campbell, EEB
    Hertel, LV
    [J]. CHEMICAL PHYSICS LETTERS, 1997, 275 (5-6) : 469 - 476
12