Regular Article – Solid State and Materials
Theoretical evaluation of the l-cysteine bridging ligand effect on the interfacial electron transfer behavior of C3N4/CoP
Department of Optoelectronic Science, Harbin Institute of Technology at Weihai, 264209, Weihai, People’s Republic of China
2 Department of Physics, Harbin Institute of Technology, 150001, Harbin, People’s Republic of China
Accepted: 1 November 2022
Published online: 15 December 2022
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.
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