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 

出　　处：《Acta Metallurgica Sinica(English Letters)》2001年第6期473-478,共6页金属学报（英文版）

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)

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.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.

关 键 词：multiple scattering calculation X-ray absorption nano particle electronic structure 

分 类 号：O657.3[理学—分析化学]