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《Chinese Physics B》 2017年09期
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Gas-sensor property of single-molecule device:F_2 adsorbing effect

李宗良  毕俊杰  刘然  衣晓华  傅焕俨  孙峰  魏明志  王传奎  
【摘要】:The single thiolated arylethynylene molecule with 9,10-dihydroanthracene core(denoted as TADHA) possesses pronounced negative differential conductance(NDC) behavior at lower bias regime. The adsorption effects of F_2 molecule on the current and NDC behavior of TADHA molecular junctions are studied by applying non-equilibrium Green's formalism combined with density functional theory. The numerical results show that the F_2 molecule adsorbed on the benzene ring of TADHA molecule near the electrode can dramatically suppresses the current of TADHA molecular junction. When the F_2 molecule adsorbed on the conjugated segment of 9,10-dihydroanthracene core of TADHA molecule, an obviously asymmetric effect on the current curves induces the molecular system showing apparent rectifier behavior. However, the current especially the NDC behavior have been significantly enlarged when F_2 addition reacted with triple bond of TADHA molecule.
【作者单位】School
【基金】:Project supported by the National Natural Science Foundation of China(Grant No.11374195) the Taishan Scholar Project of Shandong Province,China the Jinan Youth Science and Technology Star Project,China(Grant No.201406004)
【分类号】:O647.3;TP212
【正文快照】:
1.Introductiontune the performance of the molecular device.[29,49,53–55]Re-cently,the single thiolated arylethynylene molecule with 9,10-Thanks to the rapid development of single-moleculedihydroanthracene core(denoted as TADHA)have been inves-technologi

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