THEORETICAL-STUDIES OF THE ALUMINUM POLY(P-PHENYLENE VINYLENE) INTERFACE

被引：11

作者：

FREDRIKSSON, C ^{[1
]}

LAZZARONI, R ^{[1
]}

BREDAS, JL ^{[1
]}

DANNETUN, P ^{[1
]}

LOGDLUND, M ^{[1
]}

SALANECK, WR ^{[1
]}

机构：

[1] LINKOPING UNIV, IFM, DEPT PHYS, S-58183 LINKOPING, SWEDEN

来源：

SYNTHETIC METALS | 1993年 / 57卷 / 2-3期

关键词：

ALUMINUM; CONJUGATED POLYMER; PPV; STILBENE; LED; INTERFACE; INTERACTION;

D O I：

10.1016/0379-6779(93)90794-W

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A molecular quantum chemical approach is used to study the aluminum on PPV (Poly(p-Phenylene Vinylene)) interface. We focus on modifications to the chemical and electronic structure of the polymer upon interaction with a submonolayer of aluminum. A model system, trans-stilbene, is taken to investigate the nature of the Al-PPV bonding. Energetically favorable conformations are then used as prototypes to study the evolution of the electronic structure as modified by the reaction with aluminum. Results at the ab initio Hartree-Fock level indicates that Al atoms react with the vinylene linkage rather than the phenyl groups at early stages of interface formation.

引用

页码：4632 / 4637

页数：6

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