| Title | Structural Determination and Nonlinear Optical Properties of New 1T '''-Type MoS2 Compound |
| Authors | Fang, Yuqiang Hu, Xiaozong Zhao, Wei Pan, Jie Wang, Dong Bu, Kejun Mao, Yuanlv Chu, Shufen Liu, Pan Zhai, Tianyou Huang, Fuqiang |
| Affiliation | Chinese Acad Sci, Shanghai Inst Ceram, State Key Lab High Performance Ceram & Super Fine, Shanghai 200050, Peoples R China Univ Chinese Acad Sci, Beijing 100049, Peoples R China Peking Univ, Coll Chem & Mol Engn, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China Shanghai Jiao Tong Univ, Sch Mat Sci & Engn, State Key Lab Met Matrix Composites, Shanghai 200030, Peoples R China HUST, Sch Mat Sci & Technol, State Key Lab Mat Proc & Die & Mould Technol, Wuhan 430074, Hubei, Peoples R China |
| Issue Date | 2019 |
| Publisher | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY |
| Abstract | Noncentrosymmetric MoS2 semiconductors (1H, 3R) possess not only novel electronic structures of spin-orbit coupling (SOC) and valley polarization but also remarkable nonlinear optical effects. A more interesting noncentrosymmetric structure, the so-called 1T"'-MoS2 layers, was predicted to be built up from [MoS6] octahedral motifs by theoreticians, but the bulk 1T'''-MoS2 or its single crystal structure has not been reported yet. Here, we have successfully harvested 1T"' MoS2 single crystals by a topochemical method. The new layered structure is determined from single-crystal X-ray diffraction. The crystal crystallizes in space group P3(1)m with a cell of a = b = 5.580(2) angstrom and c = 5.957(2) angstrom, which is a root 3a x root 3a superstructure of 1T MoS2 with corner-sharing Mo-3 triangular trimers observed by the STEM. 1T"' MoS2 is verified to be semiconducting and possesses a band gap of 0.65 eV, different from metallic nature of IT or IT' MoS2. More surprisingly, the 1T"' MoS2 does show strong optical second-harmonic generation signals. This work provides the first layered noncentrosymmetric semiconductor of edge-sharing MoS6 octahedra for the research of nonlinear optics. |
| URI | http://hdl.handle.net/20.500.11897/551426 |
| ISSN | 0002-7863 |
| DOI | 10.1021/jacs.8b12133 |
| Indexed | SCI(E) EI |
| Appears in Collections: | å å¦ä¸ å å å·¥ç¨ å¦é ¢ 稀土材料化学与应用国家重点实验室 |
