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首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Electrical Rectification in Betaine Derivatives
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Electrical Rectification in Betaine Derivatives

机译：甜菜碱衍生物的电气整流

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摘要

We theoretically investigate the electric rectification in an organic two terminal push—pull molecular device using a combination of ab initio techniques. Our main finding is that the electric rectification is extremely sensitive to the length of the chain, undergoing a complete switching after a specific chain length. This unique process occurs for betaine-like donor-π bridge-acceptor systems and is directly associated with a conjugated bridge in the presence of an external electric field. The conjugated bridge between the donor and acceptor groups is composed of oligoethylene with sizes ranging from 0 to 10 C=C units. The appearance of electric rectification occurs when the bridge size is equal to 5 units and is complete for those larger than 6 units (i.e., full inversion). This new electronic effect is advantageous for the design of large hybrid organic/inorganic circuits with an increased majority carrier flow that is necessary for the emerging needs of nanotechnology.
机译：从理论上讲，我们使用从头算技术的结合来研究有机两末端推挽式分子器件中的电整流。我们的主要发现是，整流对链的长度极为敏感，在特定的链长度后会进行完全切换。这种独特的过程发生在甜菜碱样供体-π桥-受体系统中，并在存在外部电场的情况下与共轭桥直接相关。供体基团和受体基团之间的共轭桥由尺寸范围为0至10 C = C单位的低聚物组成。当电桥的大小等于5个单位时，就会出现电整流现象;对于大于6个单位的电桥（即完全倒置）来说，电整流的出现是完全的。这种新的电子效应有利于大型混合有机/无机电路的设计，其中多数载流增加了纳米技术的新兴需求。

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