Intersubunit Electron Transfer (IET) in Quantum Dots/Graphene Complex: What Features Does IET Endow the Complex with?

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• 作者：Cunku Dong ; Xin Li ; Pengfei Jin ; Wei Zhao ; Jia Chu ; Jingyao Qi
• 刊名：The Journal of Physical Chemistry C
• 出版年：2012
• 出版时间：July 26, 2012
• 年：2012
• 卷：116
• 期：29
• 页码：15833-15838
• 全文大小：415K
• 年卷期：v.116,no.29(July 26, 2012)
• ISSN：1932-7455

文摘

First principles calculations of quantum dots (QDs)/graphene (QDs/GR) hybrid nanomaterials were performed to investigate the interfacial electron鈥揾ole separation process at the atomistic level for verifying the tentative mechanism and unveiling the functionalities endowed by the intersubunit electron transfer. Our calculated results unveil the intersubunit electron transfer mechanism of QDs/GR nanomaterials: upon visible light adsorption, the ground electron of CdS QD in nanomaterials is first promoted to the excitated state, which then injects into the conduction band of graphene and transports along graphene layer through 蟺* orbitals to achieve interfacial electron鈥揾ole separation. Adiabatic and nonadiabatic methods are used to estimate the electron transfer time at the heterogeneous interface from CdS QD to graphene. Our findings suggest a new route to facilitate the design of QDs@GR based nanodevices.