期刊
INORGANIC CHEMISTRY
卷 60, 期 23, 页码 18370-18378出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.inorgchem.1c02965
关键词
-
资金
- Presidential Foundation of the China Academy of Engineering Physics [YZJJLX2019005]
- National Natural Science Foundation of China [U20A20210, 51890862, 51972021, 61675212]
The study successfully prepared four new quaternary chalcogenides AHgPS(4), filling the research gap in this quaternary system. These compounds exhibit unique crystalline forms, structural evolution, and optical properties.
The continuous exploration of multinary chalcogenide semiconductors has provided a variety of new functional materials. In this paper, four new quaternary chalcogenides AHgPS(4) (A(+) = Na+, K+, Rb+, Cs+) have been prepared by solid-state syntheses. These findings complement the lack of research on this quaternary system. Influenced by the size effect of cations and the coordination mode of Hg, the four compounds crystallize in four different space groups [NaHgPS4, P (4) over bar n2; KHgPS4, Pnn2; RbHgPS4, P2(1)/n; CsHgPS4, P2(1)2(1)2(1)] and show an interesting evolution from a 3D framework structure to a 1D chain structure. Moreover, all of these compounds feature noncentrosymmetric (NCS) structures except for RbHgPS4. The materials exhibit wide band gaps of 2.7 eV < E-g < 3.0 eV. The NCS- related second-harmonic-generation (SHG) property of NaHgPS4 and KHgPS4 was also studied. They display strong powder SHG responses (3.14 X AgGaS2 for NaHgPS4; 4.15 X AgGaS2 for KHgPS4), which indicate their intriguing potential as IR nonlinear-optical materials. Moreover, first-principles theoretical calculations were performed to understand the structure-property relationships of these materials.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据