Multiple-scattering determination to the local adsorption geometry of SO2/Pd(111)

S. Cao, J. C. Tang, P. Zhu, L. Wang, S. L. Shen

Research output: Contribution to journalArticlepeer-review


We have calculated the sulphur 1s near edge X-ray absorption fine structure (NEXAFS) spectra of SO2 adsorbed on Pd (111) in terms of the Multiple-Scattering Cluster (MSC) method. The origin of the resonances in the NEXAFS spectra has been revealed. By the MSC calculation and a (DV)-Xα study we have for the first time identified two weak features existing in S K-edge NEXAFS of SO2/Pd(111) system, which are attributed to the interaction between the adsorbate and the substrate. Moreover, MSC calculation together with the reliability factor (R-factor) analysis are employed to determine the local adsorption structures. These results are broadly in agreement with those of Fourier-transform analysis of the surface extended X-ray absorption fine structure (SEXAFS).

Original languageEnglish
Pages (from-to)81-86
Number of pages6
JournalActa Metallurgica Sinica (English Letters)
Issue number1
StatePublished - Feb 2002


  • DV-Xα method
  • Multiple-scattering cluster
  • Near edge X-ray absorption fine structure
  • SO/Pd(111)


Dive into the research topics of 'Multiple-scattering determination to the local adsorption geometry of SO2/Pd(111)'. Together they form a unique fingerprint.

Cite this