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Highly under-coordinated atoms at Rh surfaces: interplay of strain and coordination effects on core level shift
被引:37
作者:
Baraldi, A.
Bianchettin, L.
Vesselli, E.
de Gironcoli, S.
Lizzit, S.
Petaccia, L.
Zampieri, G.
Comelli, G.
Rosei, R.
机构:
[1] Univ Trieste, Dept Phys, I-34127 Trieste, Italy
[2] Univ Trieste, Ctr Excellence Nanostruct Mat, I-34127 Trieste, Italy
[3] Lab TASC INFM CNRS SS, I-34012 Trieste, Italy
[4] SISSA, I-34014 Trieste, Italy
[5] CNR DEMICRITOS Natl Simulat Ctr, INFM, I-34014 Trieste, Italy
[6] Sincrotrone Trieste SCpA SS, I-34012 Trieste, Italy
[7] Ctr Atom Bariloche, San Carlos De Bariloche 8400, Rio Negro, Argentina
来源:
NEW JOURNAL OF PHYSICS
|
2007年
/
9卷
关键词:
D O I:
10.1088/1367-2630/9/5/143
中图分类号:
O4 [物理学];
学科分类号:
0702 ;
摘要:
The electronic structure of highly under-coordinated Rh atoms, namely adatoms and ad-dimers, on homo- metallic surfaces has been probed by combining high-energy resolution core level photoelectron spectroscopy and density functional theory calculations. The Rh3d(5/2) core level shifts are shown to be proportional to the number of Rh nearest-neighbours ( n = 3, 4 and 5). A more refined analysis shows that the energy position of the different core level components is correlated with the calculated changes of the individual inter-atomic bond length and to the energy changes of the d-band centre, which is known to be a reliable descriptor of local chemical reactivity.
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页数:12
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