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Structural Determination and Nonlinear Optical Properties of New 1T '''-Type MoS2 Compound
Fang, Yuqiang; Hu, Xiaozong; Zhao, Wei; Pan, Jie; Wang, Dong; Bu, Kejun; Mao, Yuanlv; Chu, Shufen; Liu, Pan; Zhai, Tianyou; Huang, Fuqiang
2019-01-16
Source PublicationJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
ISSN0002-7863
Volume141Issue:2Pages:790
SubtypeArticle
AbstractNoncentrosymmetric 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.
DOI10.1021/jacs.8b12133
Language英语
WOS Research AreaChemistry
PublisherAMER CHEMICAL SOC
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Document Type期刊论文
Identifierhttp://ir.sic.ac.cn/handle/331005/27392
Collection中国科学院上海硅酸盐研究所
Recommended Citation
GB/T 7714
Fang, Yuqiang,Hu, Xiaozong,Zhao, Wei,et al. Structural Determination and Nonlinear Optical Properties of New 1T '''-Type MoS2 Compound[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2019,141(2):790.
APA Fang, Yuqiang.,Hu, Xiaozong.,Zhao, Wei.,Pan, Jie.,Wang, Dong.,...&Huang, Fuqiang.(2019).Structural Determination and Nonlinear Optical Properties of New 1T '''-Type MoS2 Compound.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,141(2),790.
MLA Fang, Yuqiang,et al."Structural Determination and Nonlinear Optical Properties of New 1T '''-Type MoS2 Compound".JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 141.2(2019):790.
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