Reconstruction and subsurface lattice distortions in the (2 × 1)O-Ni(110) structure: A LEED analysis
作者： G. Kleinle , J. Wintterlin , G. Ertl , R.J. Behm , F. Jona
DOI: 10.1016/0039-6028(90)90435-B
关键词: Lattice (order) 、 Molecular physics 、 Computational chemistry 、 Bond length 、 Adsorption 、 Chemistry 、 Metal
摘要: LEED analysis of the reconstructed (2 × 1)O-Ni(110) system clearly favors “missing row” structure over “saw-tooth” and “buckled models. By using a novel computational procedure 8 structural parameters could be refined simultaneously, leading to excellent R-factors (RZJ = 0.09, RP 0.18). The adsorbed O atoms are located 0.2 A above long bridge sites in [001] direction, presumably with slight displacement ( ∼ 0.1 A) [110] direction an asymmetric adsorption site. nearest-neighbor NiO bond lengths (1.77 rather short. separation between topmost two Ni layers is expanded 1.30 (bulk value 1.25 A), while that second third layer slightly contracted 1.23 A. is, addition, buckled (±0.05 A). results discussed on basis our present general knowledge about adsorbate covered metallic surfaces.
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sci-hub.se 参考文章(41)
Thor N. Rhodin, G. Ertl, The Nature of the surface chemical bond North-Holland Pub. Co. , sole distributed for the U.S.A. and Canada, Elsevier North-Holland. ,(1979)
S. Y. Tong, M. W. Puga, H. C. Poon, M. L. Xu, The Structure of Surfaces Springer, Berlin, Heidelberg. pp. 509- 545 ,(1985) , 10.1007/978-3-642-82727-3_19
Linus Pauling, The Nature of the Chemical Bond ,(1939)
K. Baberschke, U. Döbler, L. Wenzel, D. Arvanitis, A. Baratoff, K. H. Rieder, Local bonding geometry of O(2×1) on Ni(110): A surface extended x-ray-absorption fine-structure study Physical Review B. ,vol. 33, pp. 5910- 5913 ,(1986) , 10.1103/PHYSREVB.33.5910
H.D. Shih, F. Jona, D.W. Jepsen, P.M. Marcus, Atomic underlayer formation during the reaction of Ti{0001} with nitrogen Surface Science. ,vol. 60, pp. 445- 465 ,(1976) , 10.1016/0039-6028(76)90328-9
D.J. Holmes, D.R. Batchelor, D.A. King, Surface structure determination by SEXAFS: The reliability of bond lengths and coordination numbers from multi-shell analyses Surface Science. ,vol. 199, pp. 476- 492 ,(1988) , 10.1016/0039-6028(88)90916-8
Th. Lindner, J. Somers, Polarization dependence of the near-edge x-ray-absorption fine structure for oxygen adsorbed on Ni(110). Physical Review B. ,vol. 37, pp. 10039- 10044 ,(1988) , 10.1103/PHYSREVB.37.10039
W. Reimer, V. Penka, M. Skottke, R.J. Behm, G. Ertl, W. Moritz, A leed analysis of the (2×1)H-Ni(110) structure Surface Science. ,vol. 186, pp. 45- 54 ,(1987) , 10.1016/S0039-6028(87)80034-1
S.Y. Tong, A. Maldonado, C.H. Li, M.A. Van Hove, The structure of c(2 × 2)-CO on Ni(001) by leed; Self-consistent scattering potentials for adsorbed CO Surface Science. ,vol. 94, pp. 73- 88 ,(1980) , 10.1016/0039-6028(80)90157-0
S. Ferrer, H.P. Bonzel, The preparation, thermal stability and adsorption characteristics of the non-reconstructed Pt(110)−1 × 1 surface Surface Science. ,vol. 119, pp. 234- 250 ,(1982) , 10.1016/0039-6028(82)90294-1