Full-Text Search:
Home|About CNKI|User Service|中文
Add to Favorite Get Latest Update

Theoretical Study on the Electron Transport of Oligophenylene Derivatives Molecular Devices

OUYANG Sheng-De, YI Yuan-Ping, GENG Hua, SHUAI Zhi-Gang*(Key Laboratory of Organic Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, China)  
By applying the hybrid density functional theory coupled with Green′s function method, we investigated the conjugation length dependence of the electron conductance by calculating the current-voltage characteristics of the molecular junctions composed of benzene derivatives. At low bias, we found a perfect exponential decay form with an exponent 0.47 for the system.
Download(CAJ format) Download(PDF format)
CAJViewer7.0 supports all the CNKI file formats; AdobeReader only supports the PDF format.
©CNKI All Rights Reserved