Citation: Baili Li, Xuan Ji, Lixian Tian, Xianneng Song, Ziyan Wang, Hira Khalid, Xi Yu, Lejia Wang, Wenping Hu. Sequence modulation of tunneling barrier and charge transport across histidine doped oligo-alanine molecular junctions[J]. Chinese Chemical Letters, ;2021, 32(12): 3782-3786. doi: 10.1016/j.cclet.2021.04.013 shu

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

Baili Li ^a ,
Xuan Ji ^a ,
Lixian Tian ^a ,
Xianneng Song ^a ,
Ziyan Wang ^a ,
Hira Khalid ^a ,
Xi Yu ^{a, *,} ,
Lejia Wang ^{b, *,} ,
Wenping Hu ^{a, *,}

a.
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
b.
School of Materials and Chemical Engineering, Ningbo University of Technology, Ningbo 315211, China

xi.yu@tju.edu.cn

wanglejia@nbut.edu.cn

huwp@tju.edu.cn

Received Date: 7 February 2021
Revised Date: 6 April 2021
Accepted Date: 7 April 2021
Available Online: 9 April 2021

Figures(8)

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 EGaIn 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.
- Charge transport,
- Molecular junction,
- Peptide sequence,
- Self-assembled monolayer,
- Tunneling
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