Theoretical evaluation of the l-cysteine bridging ligand effect on the interfacial electron transfer behavior of C3N4/CoP

Xiaochun Zheng, Yidi Wang, Qingcao Liu, Shoutian Ren (), Qixiao Gai, Zhe Li, Quanli Dong and Wenjun Liu ()
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Xiaochun Zheng: Harbin Institute of Technology at Weihai
Yidi Wang: Harbin Institute of Technology at Weihai
Qingcao Liu: Harbin Institute of Technology at Weihai
Shoutian Ren: Harbin Institute of Technology at Weihai
Qixiao Gai: Harbin Institute of Technology at Weihai
Zhe Li: Harbin Institute of Technology at Weihai
Quanli Dong: Harbin Institute of Technology at Weihai
Wenjun Liu: Harbin Institute of Technology at Weihai

The European Physical Journal B: Condensed Matter and Complex Systems, 2022, vol. 95, issue 12, 1-7

Abstract: Abstract Interface optimization has been widely used to improve the optoelectronic properties of nanocomposites, but the theoretical estimation of their effect on the interfacial carrier transfer dynamics is insufficient. Therefore, it is very significant to explore the introduced interface electronic structural state and corresponding interfacial electron transfer behavior. In this paper, the possible electron transition path in l-cysteine (l-Cys) sensitized C3N4/CoP (R-C3N4/CoP) and contrast C3N4/CoP is explored, and the corresponding electron transition probability of these paths is calculated by the transition dipole moment. As a result, due to the introduction of l-Cys, the electron transition probability of R-C3N4/CoP is one order of magnitude higher than that of other path without l-Cys. Moreover, these theoretical calculation results are in good agreement with our experimental results. Graphic abstract

Date: 2022
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DOI: 10.1140/epjb/s10051-022-00450-6

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