Semiconductive K2MSbS3(SH) (M = Zn, Cd) Featuring One-Dimensional (1)(infinity)[M2Sb2S6(SH2)](4-) Chains
Zhang, Xian1,2; Yi, Na3; Hoffmann, Roald4; Zheng, Chong5; Lin, Jianhua1,2; Huang, Fuqiang1,2,3
刊名INORGANIC CHEMISTRY
2016-10-03
卷号55期号:19页码:9742-9747
英文摘要

We synthesized two one-dimensional compounds K2MSbS3(SH) (M = Zn, Cd) at 473 K, using thiourea as reactive flux. The compounds crystallize in the triclinic space group P (1) over bar. Their structures feature one-dimensional (1)(infinity)[M2Sb2S6(SH2)](4-) double chains along the crystallographic a axis. The (1)(infinity)[M2Sb2S6(SH2)](4-) double chains are composed of [M2Sb2S8(SH)(2)](8-) eight-membered rings. Similar band gaps of the two compounds, E-g = 2.75 eV for K2ZnSbS3(SH) and E-g = 171 eV for K2CdSbS3(SH), were obtained from optical absorption measurements, which are consistent with theoretical calculations. The analysis of density of states indicates that the valence band maximum and conduction band minimum consist mainly of S-3p orbitals and Sb-5p orbitals, respectively.

WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Inorganic & Nuclear
研究领域[WOS]Chemistry
关键词[WOS]CRYSTAL-STRUCTURE ; ELECTRONIC-STRUCTURE ; PHYSICAL-PROPERTIES ; RESPONSE PROPERTIES ; BISMUTH OXYSULFIDE ; SE ; CHALCOGENIDES ; REDUCTION ; ORBITALS ; BI2O2S
收录类别SCI
语种英语
WOS记录号WOS:000384782600031
内容类型期刊论文
源URL[http://ir.sic.ac.cn/handle/331005/22046]  
专题上海硅酸盐研究所_高性能陶瓷和超微结构国家重点实验室_期刊论文
作者单位1.Peking Univ, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China
2.Peking Univ, Coll Chem & Mol Engn, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China
3.Chinese Acad Sci, Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, Shanghai 200050, Peoples R China
4.Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY 14853 USA
5.Northern Illinois Univ, Dept Chem & Biochem, De Kalb, IL 60115 USA
推荐引用方式
GB/T 7714
Zhang, Xian,Yi, Na,Hoffmann, Roald,et al. Semiconductive K2MSbS3(SH) (M = Zn, Cd) Featuring One-Dimensional (1)(infinity)[M2Sb2S6(SH2)](4-) Chains[J]. INORGANIC CHEMISTRY,2016,55(19):9742-9747.
APA Zhang, Xian,Yi, Na,Hoffmann, Roald,Zheng, Chong,Lin, Jianhua,&Huang, Fuqiang.(2016).Semiconductive K2MSbS3(SH) (M = Zn, Cd) Featuring One-Dimensional (1)(infinity)[M2Sb2S6(SH2)](4-) Chains.INORGANIC CHEMISTRY,55(19),9742-9747.
MLA Zhang, Xian,et al."Semiconductive K2MSbS3(SH) (M = Zn, Cd) Featuring One-Dimensional (1)(infinity)[M2Sb2S6(SH2)](4-) Chains".INORGANIC CHEMISTRY 55.19(2016):9742-9747.
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