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Crystal structure design and multiband physical properties of quaternary sulfide Ba₅Bi₂Co₂S₁₀ for optoelectronic conversion

Author:
Bu, Kejun, Zhang, Xian, Huang, Jian, Luo, Mengjia, Zheng, Chong, Wang, Ruiqi, Wang, Dong, He, Jianqiao, Zhao, Wei, Che, Xiangli, Huang, Fuqiang
Source:
Chemical communications 2019 v.55 no.33 pp. 4809-4812
ISSN:
1364-548X
Subject:
barium, chemical reactions, cobalt, crystal structure, crystallization, electric current, ions, light, lighting, physical properties
Abstract:
Multiband materials have received increasing attention due to their superior solar absorption properties. Here we design a new multiband compound, namely Ba₅Bi₂Co₂S₁₀, which crystallizes in the space group C22h-P2₁/m (No. 11) of the monoclinic system. Ba₅Bi₂Co₂S₁₀ is composed of one-dimensional 1∞[Bi₂Co₂S₁₀]¹⁰⁻ chains along the a axis. The adjacent chains are separated by Ba²⁺ ions. The optical band gap of the compound is 1.05 eV and 0.74 eV, presenting typical multi-absorption characteristics. First-principles calculations, which are perfectly consistent with the experimental results, show that the hybrid coupling effect between Co and S gives rise to multiband characteristics. Evident optoelectronic conversion properties were observed under visible light illumination with a photocurrent density of 4.0 mA cm⁻² at 1 V.
Agid:
6385135