Open AccessMULTIPLE-SCATTERING THEORETICAL STUDY ON NEAR-EDGE X-RAY ABSORPTION SPECTRA OF C2H4/Ni(100)
Author(s) -
冯小松,
唐景昌
Publication year - 1993
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.42.647
Subject(s) - x ray absorption fine structure , chemisorption , spectral line , adsorption , atom (system on chip) , materials science , scattering , absorption (acoustics) , substrate (aquarium) , atomic physics , extended x ray absorption fine structure , molecule , absorption spectroscopy , molecular physics , chemistry , physics , optics , spectroscopy , oceanography , organic chemistry , quantum mechanics , astronomy , computer science , composite material , embedded system , geology
In this paper the carbon K-edge near edge X-ray absorption fine strucure spectra (NE-XAFS) of adsorption system C2H4/Ni(100) are calculated by multiple-scattering cluster method. By a conparison between the theortical results and experimental spectra, the chemisorption geo-metries of this system are determined. The results show that the molecule is adsorbed on the perpendicular bridge site, and the distance between the C atom and the nearest Ni atom is 1.70? while the molecular plane tilting to the surface with 50°.It is found that the interaction between H atom and Ni substrate plays an important role in the formation of the adsorption structure. These results are verified by other ways.