Citation: Meng-Yue LI, Xiu-Yuan XIE, Xin-Tao WU, Xiao-Fang LI, Hua LIN. Quaternary Selenophosphate Cs₂ZnP₂Se₆ Featuring Unique One-dimensional Chains and Exhibiting Remarkable Photo-electrochemical Response[J]. Chinese Journal of Structural Chemistry, ;2021, 40(2): 246-255. doi: 10.14102/j.cnki.0254-5861.2011-2822 shu

Quaternary Selenophosphate Cs₂ZnP₂Se₆ Featuring Unique One-dimensional Chains and Exhibiting Remarkable Photo-electrochemical Response

Meng-Yue LI ^{a, b} ,
Xiu-Yuan XIE ^{a, b} ,
Xin-Tao WU ^b ,
Xiao-Fang LI ^b,, ,
Hua LIN ^b,,

a.
Department of Chemistry, Fuzhou University, Fuzhou 350116, China
b.
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China

Corresponding author: Xiao-Fang LI, lixiaofang@fjirsm.ac.cn Hua LIN, linhua@fjirsm.ac.cn
Received Date: 25 March 2020
Accepted Date: 8 April 2020

Fund Project: the National Natural Science Foundation of China 21771179the National Natural Science Foundation of China 21301175the Natural Science Foundation of Fujian Province 2019J01133

Figures(8)

New functional materials of metal chalcophosphates have been receiving increasing attention due to their wide structural diversity and technologically promising properties. In this work, a quaternary selenophosphate, Cs₂ZnP₂Se₆, has been successfully prepared by the high-temperature solid state reactions with a modiﬁed reactive CsCl flux. Single-crystal X-ray diffraction analyses show that Cs₂ZnP₂Se₆ crystallizes in triclinic space group P\begin{document}$ \overline 1 $\end{document} with a = 7.66000(10), b = 7.712(7), c = 12.7599(3) Å, α = 96.911(18)°, β = 104.367(14)°, γ = 109.276(13)°, V = 672.16 Å³ and Z = 2. The major structure feature is the one-dimensional (1D) chain comprised of alternating units of tetrahedrally coordinated Zn²⁺ ions to the ethane-like [P₂Se₆]^4– units, in which counterbalanced Cs cations are accommodated. Significantly, photo-electrochemical measurement indicated that the title compound was photo-responsive under visible-light illumination. Moreover, the optical gap of 2.67 eV for Cs₂ZnP₂Se₆ was deduced from the UV/Vis reflectance spectroscopy and theoretical calculation shows an indirect band gap with an electronic transfer excitation of Se-4p to Zn-3d/4p and P-3p orbitals. This work presents not only a novel potential application of metal chalcophosphates, but also a facile approach to prepare alkali metal-containing chalcogenides.
- selenophosphate,
- zinc,
- one-dimensional chain,
- photo-electrochemistry,
- semiconductor
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Quaternary Selenophosphate Cs2ZnP2Se6 Featuring Unique One-dimensional Chains and Exhibiting Remarkable Photo-electrochemical Response

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Quaternary Selenophosphate Cs₂ZnP₂Se₆ Featuring Unique One-dimensional Chains and Exhibiting Remarkable Photo-electrochemical Response