One-Dimensional Chains in Pentanary Chalcogenides A2Ba3Cu2Sb2S10 (A = K, Rb, Cs) Displaying a Photocurrent Response

Chang Liu; Yu Xiao; Huan Wang; Wenxiang Chai; Xiaofeng Liu; Dongming Yan; Hua Lin; Yi Liu

doi:10.1021/acs.inorgchem.9b03148

One-Dimensional Chains in Pentanary Chalcogenides A₂Ba₃Cu₂Sb₂S₁₀ (A = K, Rb, Cs) Displaying a Photocurrent Response

Inorg Chem. 2020 Feb 3;59(3):1577-1581. doi: 10.1021/acs.inorgchem.9b03148. Epub 2020 Jan 22.

Authors

Chang Liu^{1

2}, Yu Xiao¹, Huan Wang¹, Wenxiang Chai³, Xiaofeng Liu¹, Dongming Yan⁴, Hua Lin⁵, Yi Liu¹

Affiliations

¹ Institute for Composites Science Innovation, School of Materials Science and Engineering , Zhejiang University , Hangzhou 310027 , China.
² School of Materials Science and Engineering , Shaanxi University of Science and Technology , Xi'an 710021 , China.
³ College of Materials Science and Engineering , China Jiliang University , Hangzhou 310018 , China.
⁴ School of Civil and Architectural Engineering , Zhejiang University , Hangzhou 310058 , China.
⁵ State Key Laboratory of Structural Chemistry , Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences , Fuzhou 350002 , China.

PMID: 31965797
DOI: 10.1021/acs.inorgchem.9b03148

Abstract

The discovery of new inorganic functional chalcogenides is of fundamental importance in structure chemistry and materials science. Herein, a new type of pentanary thioantimonates, A₂Ba₃Cu₂Sb₂S₁₀ (A = K, Rb, Cs), has been discovered by a solvothermal method at low temperature. These isostructural compounds belong to the monoclinic space group C2/m (No. 12) and comprise unique one-dimensional (1D) [Cu₂Sb₂S₁₀]^8- chains surrounded by discrete A⁺ and Ba²⁺ cations. Such a 1D chain structure is the first case of chalcogenides in the X/Cu/Sb/Q (X = cations; Q = chalcogen) system. The energy gaps range from 1.90 to 1.98 eV for A₂Ba₃Cu₂Sb₂S₁₀ (A = K, Rb, Cs) were obtained from the UV-visible reflectance spectroscopy. Moreover, Rb₂Ba₃Cu₂Sb₂S₁₀ displays an intriguing photocurrent response under simulated solar-light illumination. The theoretical calculations were also carried out to understand the interrelationship of the optical performance and electronic structure.