学术探索
学术期刊
新闻热点
数据分析
智能评审

Contrasting bonding behaviors of 3d transition metal atoms with graphite and C60

被引：31
作者：
Andriotis, AN
Menon, M
Froudakis, GE
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
[4] Univ Crete, Dept Chem, Iraklion 71409, Crete, Greece
来源：
PHYSICAL REVIEW B | 2000年 / 62卷 / 15期
关键词：
D O I：
10.1103/PhysRevB.62.9867
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The interactions of 3d transition metal atoms with graphite and C-60 molecule is investigated using tight-binding molecular-dynamics and nb initio methods. The results for vanadium and nickel confirm recent experimental deduction of the contrasting bonding behaviors between the early and the late 3d-transition metals in their interaction with graphite and C-60 Furthermore, our results reveal the role of substrate relaxation and curvature in producing a striking dissimilarity in the bonding behaviors among transition metal atoms on graphite and C-60.
引用
收藏
页码：9867 / 9871
页数：5
相关论文
共 23 条
[1]   Various bonding configurations of transition-metal atoms on carbon nanotubes: Their effect on contact resistance [J].
Andriotis, AN ;
Menon, M ;
Froudakis, GE .
APPLIED PHYSICS LETTERS, 2000, 76 (26) :3890-3892
[2]   Catalytic action of Ni atoms in the formation of carbon nanotubes: A molecular dynamics study [J].
Andriotis, AN ;
Menon, M ;
Froudakis, G .
PHYSICAL REVIEW LETTERS, 2000, 85 (15) :3193-3196
[3]   Tight-binding molecular dynamics study of transition metal carbide clusters [J].
Andriotis, AN ;
Menon, M ;
Froudakis, GE ;
Lowther, JE .
CHEMICAL PHYSICS LETTERS, 1999, 301 (5-6) :503-508
[4]   Geometry and bonding in small (C60)nNim clusters [J].
Andriotis, AN ;
Menon, M .
PHYSICAL REVIEW B, 1999, 60 (07) :4521-4524
[5]   A tight-binding molecular dynamics study of NimSin binary clusters [J].
Andriotis, AN ;
Menon, M ;
Froudakis, GE ;
Fthenakis, Z ;
Lowther, JE .
CHEMICAL PHYSICS LETTERS, 1998, 292 (4-6) :487-492
[6]   Tight-binding molecular-dynamics study of ferromagnetic clusters [J].
Andriotis, AN ;
Menon, M .
PHYSICAL REVIEW B, 1998, 57 (16) :10069-10081
[7]   APPEARANCE OF SURFACE MAGNETIC-MOMENTS ON VANADIUM THIN-FILMS AND SENSITIVITY TO CONTAMINATION [J].
BINNS, C ;
DERBYSHIRE, HS ;
BAYLISS, SC ;
NORRIS, C .
PHYSICAL REVIEW B, 1992, 45 (01) :460-463
[8]   Growth, electronic, magnetic and spectroscopic properties of transition metals on graphite [J].
Binns, C ;
Baker, SH ;
Demangeat, C ;
Parlebas, JC .
SURFACE SCIENCE REPORTS, 1999, 34 (4-5) :107-170
[9]   Magnetism of 3d transition-metal adatoms and dimers on graphite [J].
Duffy, DM ;
Blackman, JA .
PHYSICAL REVIEW B, 1998, 58 (11) :7443-7449
[10]  
Frisch M.J., 2016, Gaussian 16 Revision C. 01. 2016, V16, P01
123