摘要
用CNDO/2方法研究了各种掺杂剂对聚乙炔中电荷密度波的影响.在掺杂剂附近的碳原子上出现较大的电荷密度,且p型比n型掺杂剂的影响更大.讨论了电荷密度波与导电性的关系.
In this paper, effects of various dopants on charge density wave in polyacetylene were studied by means of CNDO/2 quantum chemical calculation. There are large charge density on the carbon atoms near the dopant, and the effects of p-type dopants are greater than those of n-type ones. The relationship between charge density wave and conductivity is discussed at last.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
1989年第8期831-835,共5页
Chemical Journal of Chinese Universities
基金
国家自然科学基金