Design of a Universal Reversible Bidirectional Current Switch Based on the Fullerene-Phthalocyanine Supramlecular System

被引：28

作者：

Qi, Dongdong ^{[1
]}

Zhang, Lijuan ^{[1
]}

Wan, Liang ^{[1
]}

Zhao, Luyang ^{[1
]}

Jiang, Jianzhuang ^{[1
]}

机构：

[1] Univ Sci & Technol Beijing, Dept Chem, Beijing Key Lab Sci & Applicat Funct Mol & Crysta, Beijing 100083, Peoples R China

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2012年 / 116卷 / 25期

关键词：

DENSITY-FUNCTIONAL THEORY; SOLID-STATE STRUCTURES; MOLECULAR SWITCH; HALF-SANDWICH; CYCLIC DIMER; BASIS-SET; COMPLEXES; ANION; C-60; ELEMENTS;

D O I：

10.1021/jp303804v

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A novel bidirectional current ON-OFF switch controlled by electron injection and deprivation was proposed on the basis of the density functional theory (DFT) calculation over a fullerene-phthalocyanine supramolecular system PcCoC60 for the first time. The electron density for PcCoC60 was revealed to move from fullerene to phthlocyanine only in the oxidized form and from phthlocyanine to fullerene only in the reduced form, reaching the control of electron movement direction by changing the oxidation state of this supramolecular system.

引用

页码：6785 / 6791

页数：7

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