Synthesis, crystal structure and optical properties of K2Cu2GeS4
Sun, Baohua1,2; He, Jianqiao1,2; Zhang, Xian3; Bu, Kejun1,2; Zheng, Chong4; Huang, Fuqiang1,3
Source PublicationJournal of Alloys and Compounds
AbstractA 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
EI Accession Number20173003979701
EI KeywordsSulfur compounds
EI Classification Number712.1 Semiconducting Materials - 741.1 Light/Optics - 804 Chemical Products Generally - 921 Mathematics - 933.1 Crystalline Solids - 933.1.1 Crystal Lattice
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Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Corresponding AuthorHuang, Fuqiang
Affiliation1.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
Recommended Citation
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.
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