INVESTIGATION OF BONDING IN NANO-SiO_(2) BY Si L_(2,3) X-RAY ABSORPTION NEAR-EDGE STRUCTURE SPECTROSCOPY

作     者：Z.Y. Wu, K. Ibrahim, G. Li, J. Zhang, F.Q. Liu, M.I Abbas, R. Hu, H.J. Qian and F.Q. Tang ( Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, The Chinese Academy of Sciences, Beijing 100039, China) ( Laboratori Nazionali di Frascat 

作者机构：Inst. of High Energy Phys. Chinese Acad. of Sci. Beijing 100039 China 

出 版 物：《Acta Metallurgica Sinica(English Letters)》 (金属学报（英文版）)

年 卷 期：2001年第14卷第6期

页      面：473-478页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070302[理学-分析化学] 0703[理学-化学] 

基　　金：supported by 100-Tatlent Research Program of The Chinese Academy of Sciences the Natinal Natural Science Foundation of China(NSFC)for financial support(Grant No.10074063) The Chinese Academy of Sciences(No.KJ952-S1-418) 

主　　题：multiple scattering calculation X-ray absorption nano particle electronic structure 

摘      要：The Si L2,3 X-ray absorption near-edge structure (XANES) can be used to probe thelocal structure around Si and derive electronic information of the unoccupied s- andd-like partial density of states in nano-size SiO2. We present Si L2,3-edge for threedifferent size silicates acquired by total electron yield (TEY) at the photoemission sta-tion of Beijing Synchrotron Radiation Facility (BSRF). The Si L2,3-edge spectra areinterpreted based on ab initio full multiple-scattering (MS) calculation. The Si L2.3-edge of nano-size materials has XANES similar to that of a-quartz. The similaritiesbetween the Si L2.3-edge shapes attest to a common molecular-orbital picture of theirSi-O bonding and the same coordination state. However, a considerable broadeningof Si L2,3-edge XANES spectra as decrease of particle size is also an indicative ofpolyhedral distortions.