Modelling of the adsorption of C60 on the Au(110) surface

被引：35
|
作者：
Baxter, RJ
Rudolf, P
Teobaldi, G
Zerbetto, F
机构：
[1] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy
[2] Univ Oxford, Dept Mat, Oxford OX1 3PH, England
[3] Univ Groningen, Ctr Mat Sci, NL-9747 AG Groningen, Netherlands
来源：
CHEMPHYSCHEM | 2004年 / 5卷 / 02期
关键词：
adsorption; fullerenes; gold; molecular dynamics; surfaces;
D O I：
10.1002/cphc.200300936
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：
Glued to gold: A simple approach based on i) the "glue" model for gold, ii) an empirical force field for C60, and iii) the charge equilibration plus the Born-Mayer potential for their interaction shows that the two experimentally detected structures for C60 on Au(110) are competitive from 100 K. The model (see picture) further shows the different nature of the Au-Au and Au-C60 interactions inside the two unit cells, which should make one structure prevail over the other as a function of the experimental conditions.
引用
收藏
页码：245 / 248
页数：4
相关论文
共 50 条
  • [41] Adsorption of sodium and cesium on aggregates of C60
    Harnisch, Martina
    Daxner, Matthias
    Scheier, Paul
    Echt, Olof
    EUROPEAN PHYSICAL JOURNAL D, 2016, 70 (09):
  • [42] Adsorption and diffusion on nanoclusters of C60 molecules
    Baletto, F
    Doye, JPK
    Ferrando, R
    Mottet, C
    SURFACE SCIENCE, 2003, 532 : 898 - 904
  • [43] C60/metal surfaces: adsorption and decomposition
    Pedio, M.
    Hevesi, K.
    Zema, N.
    Capozi, M.
    Perfetti, P.
    Gouttebaron, R.
    Pireaux, J.-J.
    Caudano, R.
    Rudolf, P.
    Surface Science, 1999, 437 (01): : 249 - 260
  • [44] C60/metal surfaces:: adsorption and decomposition
    Pedio, M
    Hevesi, K
    Zema, N
    Capozi, M
    Perfetti, P
    Gouttebaron, R
    Pireaux, JJ
    Caudano, R
    Rudolf, P
    SURFACE SCIENCE, 1999, 437 (1-2) : 249 - 260
  • [45] C60/metal surfaces:: Adsorption and decomposition
    Hevesi, K
    Pedio, M
    Zema, N
    Gouttebaron, R
    Wiame, F
    Comite, O
    Fardelli, A
    Sporken, R
    Pireaux, JJ
    Caudano, R
    Rudolf, P
    RECENT ADVANCES IN THE CHEMISTRY AND PHYSICS OF FULLERENES AND RELATED MATERIALS, VOL 6, 1998, 98 (08): : 519 - 535
  • [46] Hydrogen adsorption by ball milled C60
    Talyzin, AV
    Jacob, A
    JOURNAL OF ALLOYS AND COMPOUNDS, 2005, 395 (1-2) : 154 - 158
  • [47] Modelling of crystalline C60 EEL spectra
    Nicholls, R. J.
    Nguyen-Manh, D.
    Cockayne, W. H.
    EMAG-NANO 2005: IMAGING, ANALYSIS AND FABRICATION ON THE NANOSCALE, 2006, 26 : 153 - +
  • [48] Structures of Ni(II) octaethylporphyrin and C60 at Au(111) surface investigated by STM
    Pan, Ge-Bo
    Yan, Hui-Juan
    Wan, Li-Jun
    NANO, 2006, 1 (01) : 95 - 100
  • [49] Adsorption of silicon atoms on the surface of the Au/W(110)
    D. A. Pudikov
    E. V. Zhizhin
    A. A. Vishniakova
    O. Yu. Vilkov
    G. G. Vladimirov
    Physics of the Solid State, 2017, 59 : 2476 - 2480
  • [50] Adsorption of silicon atoms on the surface of the Au/W(110)
    Pudikov, D. A.
    Zhizhin, E. V.
    Vishniakova, A. A.
    Vilkov, O. Yu.
    Vladimirov, G. G.
    PHYSICS OF THE SOLID STATE, 2017, 59 (12) : 2476 - 2480
12345