利用非弹性电子隧穿谱对偶氮苯光敏分子结结构的探测  

Detection of the structure of the Azobenzene light- sensitive molecule junction with IETS

作　　者：王姝壹[1,2] 蔡绍洪[3] 许红斌[2] 

机构地区：[1]贵州大学理学院,贵州贵阳550025 [2]贵州师范学院贵州省纳米材料模拟与计算重点实验室,贵州贵阳550018 [3]贵州财经大学贵州省经济系统仿真重点实验室,贵州贵阳550025

出　　处：《贵州师范学院学报》2014年第6期1-4,共4页Journal of Guizhou Education University

基　　金：国家自然科学基金"分子器件电输运过程中的局预热及制冷机制研究"(批准号:11264005)

摘　　要：偶氮苯光敏分子(AzB)暴露在可见光或者紫外光环境下容易发生顺式与反式之间的结构变化。基于密度泛函理论与格林函数方法,着重考察了AzB分子结在不同的力学环境下对导电能力的影响,发现大部分顺式结构的电导明显高于反式结构的电导。这与最近的一组实验结论是一致的。由于非弹性隧穿光谱(IETS)对结构的敏感性,利用IETS探测了不同结构的AzB分子结,发现它们的IETS峰出现的位置混杂在一起,因此无法利用IETS对这些偶氮苯分子结进行标记,这与同组实验结果并不一致。Azobenzene light -sensitive molecules can conduct the cis and trans structure change easily when exposed in the visible or ultraviolet light environment. Based on the density functional theory and green function method, the present study focuses on the conductive ability influenced by the AzB molecule junction in different mechanical environment. It is discovered in the study that the conductive ability of most of the CIS structure of the AzB molecules was obviously higher than that of the trans structure of the AzB molecules, which is in agreement with the find- ings of a set of recent experiment. Considering that Inelastic Electron Tunneling Spectroscopy （IETS） is sensitive to the structure, we used the IETS to detect different structures of the AzB molecule junction, and found that their position of IETS peak mixed together, therefore, IETS can not be used to mark these Azobenzene molecules, for it is not consistent with the result of the experiment of the same group.

关 键 词：偶氮苯光敏分子 电导 分子轨道波函数 IETS 

分 类 号：O469[理学—凝聚态物理]