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Structural, thermal, vibrational, and optical characterization of Sn–S–Se dichalcogenide system synthesized by high-energy ball milling
Journal of Physics and Chemistry of Solids ( IF 4 ) Pub Date : 2021-06-02 , DOI: 10.1016/j.jpcs.2021.110203
Miécio de Oliveira Melquiades , Leonardo Soares de Oliveira , Ranilson Angelo da Silva , Sérgio Michielon de Souza , Marcelo Ornaghi Orlandi

Layered tin-based SnS2, Sn(S0.5Se0.5)2, and SnSe2 dichalcogenide semiconductors were synthesized using high-energy ball milling. Structural analyses revealed anisotropic nanostructures with the 2H-polytype. The extended milling time produced nanocrystallites due to the high density of defects and texture indexes. A significant microstrain reduction was achieved by replacing the 1d site with heavier chalcogenides. The presence of microstrained nanocrystallites widens and redshifts the A1g and Eg Raman modes. The redshift effect also occurs when the lattice parameters are increased via doping. The overall exothermic DSC profile exhibited a subtle modification above 450 °C suggestive of SnO2 nucleation. A composition-dependent exciton redshift in UV–Vis was followed by a reduction in the band gap toward lower averaged ionic radii in the 1d site. Multiple straight-line segments in Tauc plots indicate sub-bands as a result of the multilayered structure.



中文翻译:

高能球磨合成的 Sn-S-Se 二硫属化物系统的结构、热、振动和光学表征

使用高能球磨法合成了层状锡基 SnS 2、Sn(S 0 . 5 Se 0.5 ) 2和 SnSe 2二硫属化物半导体。结构分析揭示了具有 2H 多型的各向异性纳米结构。由于高密度的缺陷和织构指数,延长的研磨时间产生了纳米微晶。通过用更重的硫属化物代替 1 d位点,显着减少了微应变。微应变纳米微晶的存在使 A 1g和 E g变宽和红移拉曼模式。当通过掺杂增加晶格参数时也会发生红移效应。总体放热 DSC 曲线在 450 °C 以上显示出细微的变化,表明 SnO 2成核。UV-Vis 中的组成依赖激子红移之后,带隙向 1 d位点中较低的平均离子半径减小。由于多层结构,Tauc 图中的多个直线段表示子带。

更新日期:2021-06-11
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