Isomeric Effect of Anchoring Groups on Rectification for Dipyrimidinyl Diphenyl Diblock Molecular Ju

来源 :第十七届全国原子与分子物理学术会议 | 被引量 : 0次 | 上传用户：wang540364472

【摘要】

：

The rectifying properties modulated by isomeric anchoring groups of dipyrimidinyl-diphenyl co-oligomer diodes sandwiched between two gold electrodes are investi

【作者】

：

Yang Song Xiaoxiao Fu Guangping Zhang Chuankui Wang

【机构】

：

CollegeofPhysicsandElectronics,ShandongNormalUniversity,Jinan250014,China

【出处】

：

第十七届全国原子与分子物理学术会议

【发表日期】

：

2013年7期

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The rectifying properties modulated by isomeric anchoring groups of dipyrimidinyl-diphenyl co-oligomer diodes sandwiched between two gold electrodes are investigated using density functional theory combined with the nonequilibrium Greens function method.Our results show that isocyanide is more likely to combine with gold electrodes than its isomeride nitrile, carrying a larger current.

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Isomeric Effect of Anchoring Groups on Rectification for Dipyrimidinyl Diphenyl Diblock Molecular Ju

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