Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, USA.
J Am Chem Soc. 2010 Mar 10;132(9):2914-8. doi: 10.1021/ja906234v.
The geometric aspects for the functionality of a molecule-based field effect transistor (FET) are analyzed. A computational study is performed on molecular models involving a well-defined conjugation plane coupled to gold-based electrodes through thiol bonding. Transport gating of the FET is shown to depend on a symmetry-breaking effect induced by the gating field. This effect is also related to the orientation of the field relative to the gold-thiol bonds, the molecular conjugation plane, and the overall symmetry of the device. First, it is found that the presence of a center of inversion in the bulk-coupled molecular system results in the cancellation of the transisting response. Second, a mirror plane of the molecule-bulk system, which includes the transport vector, will cancel the gating response to fields oriented perpendicular to that mirror plane. The symmetry properties are determined for the bulk contacted molecular junction.
对基于分子的场效应晶体管（FET）的功能的几何方面进行了分析。通过硫醇键将具有明确定义的共轭平面与金基电极耦合的分子模型进行了计算研究。结果表明，FET 的传输门控取决于由门控场引起的对称破缺效应。该效应还与场相对于金 - 硫键、分子共轭平面和器件的整体对称性的取向有关。首先，发现体耦合分子系统中的反演中心的存在导致传输响应的抵消。其次，包括输运矢量的分子-体系统的镜面将抵消与该镜面垂直取向的场的门控响应。确定了与体接触的分子结的对称性质。
