THEORETICAL STUDY OF THE ELECTRONIC STRUCTURE AND CONDUCTING PROPERTIES OF POLYTHIIRENE AND POLYDITH

• 作 者: 曹阳 陈波 陈良进
• 机 构: ChemitryDepartment
• 出 处: 苏州大学学报：自然科学版
• 发表日期: 1993年2期
• 关键词: 电子结构 传导性质 聚炔烃 聚硫杂丙烯环 聚乙炔 PDT band structurepolydithiete polythiireneab initio ca

The electronic structure and conduction properties of two kinds of polyyne derivatives with sulfur addition, palythiirene (PTI) and polydithiete (PDT) have been examined using ab initio Hartree-Fock crystal orbital method. Comparison of the results such a