THE INFLUENCE OF OXYGEN-ADSORPTION ON THE ELECTRONIC-STRUCTURE OF COPPER PHTHALOCYANINE

被引：19

作者：

SZCZEPANIAK, B

BRAGIEL, P

机构：

[1] Institute of Physics, Pedagogical University, 42-200 Czȩstochowa

来源：

VACUUM | 1995年 / 46卷 / 5-6期

关键词：

D O I：

10.1016/0042-207X(94)00107-3

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Ab initio calculations at the SCF level were performed in order to determine the electronic structure of copper phthalocyanine (CuPc) and its changes under interaction with the O-2 molecule. The calculated energy levels of CuPc appeared to be in good accordance with other available theoretical data. Determining the electronic structure of the CuPc-O-2 system allowed explanation of the considerable changes in electrical conductivities in CuPc solid state.

引用

页码：465 / 467

页数：3

共 29 条

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