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Sequence modulation of tunneling barrier and charge transport across histidine doped oligo-alanine molecular junctions

查看全文 作　　者：Baili [1]Li;Xuan [1]Ji;Lixian [1]Tian;Xianneng [1]Song;Ziyan [1]Wang;Hira [1]Khalid;Xi [1]Yu;Lejia [2]Wang;Wenping [1]Hu 高影响力作者 机构地区：[1]Department of Chemistry,Tianjin Key Laboratory of Molecular Optoelectronic Sciences,School of Science,Tianjin University and Collaborative Innovation Center of Chemical Science and Engineering(Tianjin),Tianjin 300072,China;[2]School of Materials and Chemical Engineering,Ningbo University of Technology,Ningbo 315211,China高影响力机构 出　　处：《Chinese Chemical Letters》索引2021年第32卷第12期,共5页高影响力期刊 基　　金：supported by the National Natural Science Foundation of China (Nos. 21773169, 21973069, 21805144);Natural Science Foundation of Zhejiang Province (No. LY18B020016);the PEIYANG Young Scholars Program of Tianjin University (No. 2018XRX-0007)。 摘　　要：Series tunneling across peptides composed of various amino acids is one of the main charge transport mechanisms for realizing the function of protein. Histidine, more frequently found in redox active proteins, has been proved to be efficient tunneling mediator. While how it exactly modulates charge transport in a long peptide sequence remains poorly explored. In this work, we studied charge transport of a model peptide junction, where oligo-alanine peptide was doped by histidine at different position,and the series of peptides were self-assembled into a monolayer on gold electrode with soft EGa In as top electrode to form molecular junction. It was found that histidine increased the overall conductance of the peptide, meanwhile, its position modulated the conductance as well. Quantitative analysis by transport model and ultraviolet photoelectron spectroscopy(UPS) indicated a sequence dependent energy landscape of the tunneling barrier of the junction. Density-functional theory(DFT) calculation on the electronic structure of histidine doped oligo-alanine peptides revealed localized highest occupied molecular orbital(HOMO) on imidazole group of the histidine, which decreased charge transport barrier. 关 键 词：Charge transport Molecular junction Peptide sequence Self-assembled monolayer TUNNELING
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