单分子水平研究非共价分子构象锁对电荷传输的影响  

Research on the Effect of Nonbonding Conformation Locking on Charge Transport at Single Molecule Level

作　　者：石洋洋 马静静 王治业 肖博怀 余蕾 李云川 孙铭俊 钱功明 常帅[1,2] SHI Yangyang;MA Jingjing;WANG Zhiye;XIAO Bohuai;YU Lei;LI Yunchuan;SUN Mingjun;QIAN Gongming;CHANG Shuai(School of Materials and Metallurgy,Wuhan University of Science and Technology,Wuhan430081,CHN;State Key Laboratory of Refractories and Metallurgy,Wuhan 430081,CHN;School of Resources and Environmental Engineering,Wuhan University of Science and Technology,Wuhan430081,CHN)

机构地区：[1]武汉科技大学材料与冶金学院,武汉430081 [2]省部共建耐火材料与冶金国家重点实验室,武汉430081 [3]武汉科技大学资源与环境工程学院,武汉430081

出　　处：《光电子技术》2022年第3期181-186,192,共7页Optoelectronic Technology

基　　金：优秀中青年科技创新团队计划项目(T2021002)。

摘　　要：采用扫描隧道显微镜(STM)对含NCLs的有机共轭模型分子进行单分子电导测量,在单分子水平上研究NCLs对分子内电荷传输的影响。研究表明,NCLs可以通过平面化分子构型和调节分子带隙来提高分子内的电荷传导,同时DFT计算证实NCLs可以通过建立额外的隧穿通道进一步提升分子内的电荷传导效率。研究结果可为基于NCL设计高效率的有机共轭光伏电池材料提供理论和实验依据。Utilization of nonbonding conformational locks(NCLs)to enhance the electron mobility of solar cell materials and the photovoltaic conversion efficiency of the devices has been widely accepted. Currently,studies on the working mechanism of NCLs were mainly based on macroscopic experiments,while the regulation of charge conduction mechanism by NCLs at single-molecule level was rarely researched. In this paper,single-molecule conductance measurements of organic conjugated molecular systems containing NCLs were performed using scanning tunneling microscopy(STM)to investigate the effect of NCLs on intramolecular charge transport at the single-molecule level. It showed that NCLs could promote intramolecular charge conduction by planarizing the molecular conformation and modulating the molecular band gap,while DFT calculations could confirm that NCLs could furtherly enhance intramolecular charge conduction by establishing additional tunneling channels.Therefore,the results of this study provided a theoretical and experimental foundation for the design of high-efficiency organic photovoltaic materials based on NCLs.

关 键 词：单分子测量技术 扫描隧道显微镜 非成键构象锁 有机共轭模型分子 

分 类 号：TN201[电子电信—物理电子学]