Synthesis, Crystal Structure and Electronic Structure of Novel Semiconducting KCdAsS3
文献类型：期刊论文
| 作者 | Sun Bao-Hua1,2; He Jian-Qiao1,2; Bu Ke-Jun1,2; Zhang Xian1,3,4; Huang Fu-Qiang1,3,4 |
| 刊名 | CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
 |
| 出版日期 | 2017-11-15 |
| 卷号 | 36期号:11页码:1791-1796 |
| 关键词 | Thioarsenates Layered Structure Semiconductor |
| ISSN号 | 0254-5861 |
| DOI | 10.14102/j.cnki.0254-5861.2011-1661 |
| 英文摘要 | A new compound of KCdAsS3 (M-r = 322.60) was successfully synthesized using thiourea reactive flux method. The crystal structure was determined by single-crystal X-ray diffraction. The title compound crystallizes in a monoclinic system of space group P2(1)/n with a = 5.9537(7), b = 16.633(3), c = 6.093(1) angstrom, beta = 90.781(3)degrees, V = 610.0(1) angstrom(3), Z = 4, D-c = 3.513 g/cm(3), mu(MoKa) = 10.52 mm(-1), F(000) = 592, R = 0.057 and wR = 0.136 for 899 observed reflections with I > 2 sigma(I). The crystal structure of KCdAsS3 features [CdAsS3]-layers, which are separated by K+ ions. First-principles calculations show that KCdAsS3 is an indirect band gap semiconductor with a band gap of 2.3 eV. The novel layered compound of tetrahedra CdS4 and pyramids AsS3 is potentially useful for photoluminescent, photocatalytic and photoelectric applications. |
| 语种 | 英语 |
| WOS记录号 | WOS:000415903300004 |
| 出版者 | CHINESE JOURNAL STRUCTURAL CHEMISTRY |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/45167]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zhang Xian; Huang Fu-Qiang |
| 作者单位 | 1.Chinese Acad Sci, Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, Shanghai 200050, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Peking Univ, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China 4.Peking Univ, Coll Chem & Mol Engn, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China |
| 推荐引用方式 GB/T 7714 | Sun Bao-Hua,He Jian-Qiao,Bu Ke-Jun,et al. Synthesis, Crystal Structure and Electronic Structure of Novel Semiconducting KCdAsS3[J]. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY,2017,36(11):1791-1796. |
| APA | Sun Bao-Hua,He Jian-Qiao,Bu Ke-Jun,Zhang Xian,&Huang Fu-Qiang.(2017).Synthesis, Crystal Structure and Electronic Structure of Novel Semiconducting KCdAsS3.CHINESE JOURNAL OF STRUCTURAL CHEMISTRY,36(11),1791-1796. |
| MLA | Sun Bao-Hua,et al."Synthesis, Crystal Structure and Electronic Structure of Novel Semiconducting KCdAsS3".CHINESE JOURNAL OF STRUCTURAL CHEMISTRY 36.11(2017):1791-1796. |
入库方式： OAI收割
来源：化学研究所
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