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Short range structure in the amorphous As-S-Br system

机译:非晶态As-S-Br系统中的短程结构

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The short-range structure in the amorphous As-S-Br system has been investigated through Raman spectroscopy, EXAFS, X-ray diffraction and neutron diffraction measurements using (As2S3)(1-x)Br-3 and As0.4-xS0.6Brx alloys. Raman bands relating to AsBr3 molecular units, which have not been observed in the amorphous As-Se-Br system, appear in the present As-S-Br alloys. The intensity of the Raman bands assigned to S-x-ring clusters increases at larger x in amorphous (As2S3)(1-x)Br-x alloys, reflecting that, owing to the preferential formation of the As-Br bonding, extra S atoms in the amorphous AsS3/2 network matrix associate with each other to form S-8-ring clusters, Interatomic distances of As-S, As-Br and S-S pairs involved in the nearest neighbor shell in the present As-S-Br alloys are estimated to be 2.26, 2.36 and 2.05 Angstrom, respectively, by least squares fitting of observed EXAFS, and X-ray diffraction and neutron diffraction data. Further, total coordination numbers of constituent atoms in the system remain unchanged at any x and are computed to be three for As, two for S and unity for Br, respectively. (C) 2001 Elsevier Science B.V. All rights reserved. [References: 12]
机译:通过使用(As2S3)(1-x)Br-3和As0.4-xS0的拉曼光谱,EXAFS,X射线衍射和中子衍射测量,研究了非晶态As-S-Br系统中的短程结构。 6Brx合金。在本发明的As-S-Br合金中出现了与在无定形As-Se-Br体系中未观察到的与AsBr3分子单元有关的拉曼带。在非晶态(As2S3)(1-x)Br-x合金中,分配给Sx环簇的拉曼能带的强度在较大的x处增加,这反映出,由于优先形成了As-Br键,因此,非晶态的AsS3 / 2网络矩阵相互结合形成S-8环簇,估算了当前As-S-Br合金中最近邻壳所涉及的As-S,As-Br和SS对的原子间距离通过观察到的EXAFS和X射线衍射和中子衍射数据的最小二乘拟合分别为2.26、2.36和2.05埃。此外,系统中组成原子的总配位数在任何x均保持不变,并且对于As分别计算为3,对于S为2,对于Br为1。 (C)2001 Elsevier Science B.V.保留所有权利。 [参考:12]

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