ELECTRONIC-STRUCTURE OF POLYDIFLUOROSILANE, POLYDIFLUOROGERMANE AND THEIR ALTERNATING COPOLYMER

被引：7

作者：

YAMAGUCHI, Y

机构：

[1] New Chemistry R and D Laboratories, Sumitomo Electric Industries, Ltd., Konohana-ku, Osaka, 554

来源：

SYNTHETIC METALS | 1992年 / 52卷 / 01期

关键词：

D O I：

10.1016/0379-6779(92)90019-F

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic structures in the optimized geometries of polydifluorosilane, polydifluorogermane and their alternating copolymer are studied theoretically using the one-dimensional tight-binding self-consistent field-crystal orbital (SCF-CO) method. The results suggest that, if they can be prepared, they will be capable of becoming rare n-type conducting silicon polymers.

引用

页码：51 / 56

页数：6

共 13 条

[1]

Brust D., 1968, METHODS COMPUTATIONA, V8, P33

[2] ELECTRONIC-STRUCTURES OF POLYMERS USING TIGHT-BINDING APPROXIMATION .3. DENSITY MATRIX APPROACH TO POLY-L-ALANINE AND POLYGLYCINE-WATER COMPLEX BY CNDO/2 METHOD [J].