Sulfur electronic environments in αNiS and β-NiS: Examination of the relationship between coordination number and core electron binding energies

Siew Wei Goh, Alan N. Buckley, Robert N. Lamb, William M. Skinner, Allan Pring, Haipeng Wang, Liang-Jen Fan, Ling-Yun Jang, Lee-Jene Lai, Yaw-Wen Yang

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

X-ray photoelectron spectra have been obtained under the same experimental conditions for synthetic α-NiS and natural β-NiS in order to establish any difference in S electronic environment, and to test the proposition that S core electron binding energies increase measurably with coordination number when the same metal is in different sulfide structures or lattice sites. The Ni and S electronic environments in the two NiS structures have been further probed by near-edge X-ray absorption fine structure (NEXAFS) spectroscopy, and the NEXAFS spectra interpreted by reference to spectra simulated by ab initio calculations. The photoelectron and NEXAFS spectra for freshly prepared surfaces of α-NiS and β-NiS were found to be similar, with only subtle differences in electronic environment evident in the experimental and simulated NEXAFS spectra. The measured and calculated core electron binding energies did not support the previously postulated relationship between S coordination number and electron binding energies.

Original languageEnglish
Pages (from-to)98-105
Number of pages8
JournalPhysics and Chemistry of Minerals
Volume33
Issue number2
DOIs
Publication statusPublished - 1 Apr 2006
Externally publishedYes

Keywords

  • α-NiS
  • Millerite
  • NEXAFS
  • XPS

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