Sr5Ga8O3S14: A Nonlinear Optical Oxysulfide with Melilite-Derived Structure and Wide Band Gap
文献类型：期刊论文
| 作者 | Wang, RQ; Guo, YW; Zhang, X; Xiao, Y; Yao, JY; Huang, FQ |
| 刊名 | INORGANIC CHEMISTRY
 |
| 出版日期 | 2020-07-20 |
| 期号 | 14页码:9944 |
| ISSN号 | 0020-1669 |
| DOI | 10.1021/acs.inorgchem.0c01111 |
| 文献子类 | Article |
| 英文摘要 | Sr5Ga8O3S14, which is a novel nonlinear optical oxysulfide, was discovered via solid-state reaction. The compound crystallizes in noncentrosymmetric space group P2(1)2(1)2 (No. 18) of the orthorhombic system. The crystal structure is derived from the melilite structure and composed of anionic (2)(infinity)[Ga8O3S14](10-) layers intercalated by Sr2+ cations. The anionic layers are constructed by [GaOS3](5-) and [GaS4](5- )tetrahedra via either corner sharing or edge sharing, while typical melilite only features edge-sharing mode. Because of the existence of electronegative O atoms, it possesses a large band gap (3.9 eV) with a wide transparent region of 0.3-13.4 mu m. It exhibits second-harmonic-generation response, which is 0.8 times that of the reference AgGaS2 (AGS) in the particle size range of 20-41 mu m under laser irradiation at a wavelength of 2.09 mu m laser. Density functional theory calculations indicate that the band edges are mainly composed of the Ga-S bond orbitals, with little participation of O 2p near the valence band maximum. |
| WOS关键词 | TOTAL-ENERGY CALCULATIONS ; 2ND-HARMONIC GENERATION ; PHOTOCATALYTIC ACTIVITY ; THERMOELECTRIC PERFORMANCE ; CRYSTAL-STRUCTURE ; POLAR OXYSULFIDE ; WATER OXIDATION ; BICUSEO ; SUPERCONDUCTIVITY ; SRLAGA3S6O |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.sic.ac.cn/handle/331005/27898]  |
| 专题 | 中国科学院上海硅酸盐研究所 |
| 推荐引用方式 GB/T 7714 | Wang, RQ,Guo, YW,Zhang, X,et al. Sr5Ga8O3S14: A Nonlinear Optical Oxysulfide with Melilite-Derived Structure and Wide Band Gap[J]. INORGANIC CHEMISTRY,2020(14):9944. |
| APA | Wang, RQ,Guo, YW,Zhang, X,Xiao, Y,Yao, JY,&Huang, FQ.(2020).Sr5Ga8O3S14: A Nonlinear Optical Oxysulfide with Melilite-Derived Structure and Wide Band Gap.INORGANIC CHEMISTRY(14),9944. |
| MLA | Wang, RQ,et al."Sr5Ga8O3S14: A Nonlinear Optical Oxysulfide with Melilite-Derived Structure and Wide Band Gap".INORGANIC CHEMISTRY .14(2020):9944. |
入库方式： OAI收割
来源：上海硅酸盐研究所
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