Issue 47, 2020

Experimental and theoretical studies of the ternary thiophosphate PbPS3 featuring ethane-like [P2S6]4− units

Abstract

The ternary thiophosphate PbPS3 was synthesized by a high-temperature solid-state reaction using PbS, P and S. Single-crystal X-ray diffraction analysis reveals that the compound crystallizes in the P21/c space group. It features a three-dimensional structure, which consists of [PbS8] hendecahedra and isolated ethane-like [P2S6]4− units. PbPS3 can be easily obtained by different methods and shows high air stability, which is beneficial to its chemical synthesis and large-sized crystal growth. The crystal structure, optical properties and electronic structure of PbPS3 have been researched by experimental methods and first-principles calculations. The results show that PbPS3 has a moderate bandgap (Eg. exp. = 2.60 eV) and birefringence (Δncal. = 0.094@1064 nm), as well as a wide transparent range. Furthermore, to better understand the origin of the birefringence, structure comparisons and theoretical calculations were carried out. With a relatively high physicochemical stability and easy synthesis, PbPS3 can be expected to be a prospective birefringent material.

Graphical abstract: Experimental and theoretical studies of the ternary thiophosphate PbPS3 featuring ethane-like [P2S6]4− units

Supplementary files

Article information

Article type
Paper
Submitted
04 Oct 2020
Accepted
30 Oct 2020
First published
31 Oct 2020

Dalton Trans., 2020,49, 17221-17229

Experimental and theoretical studies of the ternary thiophosphate PbPS3 featuring ethane-like [P2S6]4− units

P. Wang, M. Abudoureheman and Z. Chen, Dalton Trans., 2020, 49, 17221 DOI: 10.1039/D0DT03420G

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements