Synthesis, crystal structure and optical properties of K2Cu2GeS4

doi:10.1016/j.jallcom.2017.07.187

	Synthesis, crystal structure and optical properties of K2Cu2GeS4
	Sun, Baohua 1,2; He, Jianqiao 1,2; Zhang, Xian 3; Bu, Kejun 1,2; Zheng, Chong 4; Huang, Fuqiang 1,3
刊名	Journal of Alloys and Compounds
	2017
卷号	725 页码:557-562
ISSN号	09258388
DOI	10.1016/j.jallcom.2017.07.187
英文摘要	A new compound K2Cu2GeS4was successfully synthesized by using molten thiourea reactive flux method. The structure was determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic system of space group P2/c with a unit cell of a = 7.063 (3) Å, b = 5.435 (3) Å, c = 11.037 (6) Å and β = 112.83 (3)°. The crystal structure of K2Cu2GeS4is composed of defective anti-PbO like [Cu2GeS4]2−layers which are interleaved by K+cations. This compound is a semiconductor with an indirect band gap of 2.3 (1) eV, which is derived from optical absorption spectrum. First principles calculations reveal that K2Cu2GeS4has interesting intermediate bands consisting of Ge-4s and S-3p orbitals. This new semiconductor is potentially suitable for solar photocatalytic and photoelectric applications. © 2017
内容类型	期刊论文
源URL	[http://ir.sic.ac.cn/handle/331005/25444]
专题	中国科学院上海硅酸盐研究所
通讯作者	Huang, Fuqiang
作者单位	1.State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai; 200050, China; 2.University of Chinese Academy of Sciences, 19 Yuquan Road, Beijing; 100049, China; 3.Beijing National Laboratory for Molecular Sciences and State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, 202 Chengfu Road, Beijing; 100871, China; 4.Department of Chemistry and Biochemistry, Northern Illinois University, DeKalb; Illinois; 60115, United States
推荐引用方式 GB/T 7714	Sun, Baohua,He, Jianqiao,Zhang, Xian,et al. Synthesis, crystal structure and optical properties of K2Cu2GeS4[J]. Journal of Alloys and Compounds,2017,725:557-562.
APA	Sun, Baohua,He, Jianqiao,Zhang, Xian,Bu, Kejun,Zheng, Chong,&Huang, Fuqiang.(2017).Synthesis, crystal structure and optical properties of K2Cu2GeS4.Journal of Alloys and Compounds,725,557-562.
MLA	Sun, Baohua,et al."Synthesis, crystal structure and optical properties of K2Cu2GeS4".Journal of Alloys and Compounds 725(2017):557-562.