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Reconstruction of pyrrhotite fracture surfaces
Minerals Engineering ( IF 4.8 ) Pub Date : 2022-06-11 , DOI: 10.1016/j.mineng.2022.107666
Zoe E. Pettifer , Jamie S. Quinton , Sarah L. Harmer

The interpretation of core level Synchrotron photoemisison spectra (SPES) collected from a pristine fracture surface of monoclinic pyrrhotite (Fe7S8), as a function of photon energy, has identified the three distinct surface species. The Fe 2p photoemission spectra show the Fe in pyrrhotite is high spin FeII in octahedral co-ordination. Comparison of bulk and surface sensitive spectra did not identify any changes due to the broad nature of the high spin Fe 2p spectra. However, the sulfur spectrum shows an undercoordinated monosulfide at 160.8 eV, a disulfide (161.7 eV) and polysulfide species (163.2 eV) at the surface. This indicates stabilisation of the surface involves reconstruction and results in chemical transformation of sulfur species. A high binding energy tail that extends to 167 eV has been attributed to ligand to metal charge transfer satellites (LMCT) and supported by the pre-edge features observed in Fe L2,3 and S L2,3 near edge X-ray absorption fine structure (NEXAFS). An accurate fit for the bulk pyrrhotite sulfide spectrum has been estimated by comparing spectra with different surface sensitivities, and thereby an accurate fitting method has been developed for the monoclinic pyrrhotite S 2p spectrum. This method may be used for future photoemission spectra to improve the analysis of similar samples and provide a basis for interpretation of pyrrhotite samples during mineral processing and environmental conditions.



中文翻译:

磁黄铁矿断裂面的重建

从单斜磁黄铁矿 (Fe 7 S 8 )的原始断裂表面收集的核心水平同步辐射光发射光谱 (SPES) 的解释作为光子能量的函数,已经确定了三种不同的表面物种。Fe 2 p光电子能谱表明磁黄铁矿中的Fe是八面体配位的高自旋Fe II 。由于高自旋 Fe 2 p的广泛性质,体和表面敏感光谱的比较没有发现任何变化光谱。然而,硫光谱显示在 160.8 eV 处存在配位不足的单硫化物,在表面有二硫化物 (161.7 eV) 和多硫化物 (163.2 eV)。这表明表面的稳定涉及重建并导致硫物质的化学转化。延伸至 167 eV 的高结合能尾部归因于金属电荷转移卫星 (LMCT) 的配体,并得到在 Fe L 2,3和 SL 2,3近边缘 X 射线吸收精细中观察到的前边缘特征的支持结构(NEXAFS)。通过比较不同表面灵敏度的光谱,估计了块状磁黄铁矿硫化物光谱的精确拟合,从而开发了单斜磁黄铁矿S 2 p的精确拟合方法光谱。该方法可用于未来的光发射光谱,以改进类似样品的分析,并为磁黄铁矿样品在矿物加工和环境条件下的解释提供依据。

更新日期:2022-06-14
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