Journal of Alloys and Compounds ( IF 5.8 ) Pub Date : 2023-05-15 , DOI: 10.1016/j.jallcom.2023.170570 Peng-Fei Li , Chun-Li Hu , Bing-Xuan Li , Fang Kong , Jiang-Gao Mao
Two UV inorganic yttrium selenite optical materials, namely, Y(HSeO3)(SeO3)(H2O)·(H2O) (1) and Y2(SeO3)2(SeO4)(H2O)2·(H2O)0.75 (2), have been synthesized successfully by hydrothermal reactions. Of these, Y2(SeO3)2(SeO4)(H2O)2·(H2O)0.75 (2) is a new mixed valent selenium oxide containing Se(IV) and Se(VI) cations simultaneously. Y(HSeO3)(SeO3)(H2O)·(H2O) (1) shows a 3D structure composed of 2D yttrium selenite layers linked by O−H···O bonds. Y2(SeO3)2(SeO4)(H2O)2·(H2O)0.75 (2) exhibits a 3D structure composed of 2D yttrium selenite layers connected by SeO4 tetrahedron. Y(HSeO3)(SeO3)(H2O)·(H2O) (1) crystallized in a chiral space group P212121 and could display a moderate SHG intensity about 0.7 times of the commercial KH2PO4 (KDP). Its powder laser damage threshold quantity was estimated to be 120.2 MW/cm2, which is about 46.2 times that of AGS (2.6 MW/cm2). UV-vis-NIR spectra reflectance spectra showed that these solids are wide band gap compounds with Eg of 5.5 and 5.1 eV respectively. Theoretical calculations disclosed that Y(HSeO3)(SeO3)(H2O)·(H2O) (1) is an indirect band gap structures and its bandgaps is determined by O and Se atoms.
中文翻译:
Y(HSeO3)(SeO3)(H2O)·(H2O) 和 Y2(SeO3)2(SeO4)(H2O)2·(H2O)0.75:从纯亚硒酸盐化合物中探索出两种具有短紫外截止边的亚硒酸钇
两种紫外无机亚硒酸钇光学材料,即Y(HSeO 3 )(SeO 3 )(H 2 O)·(H 2 O) (1)和Y 2 (SeO 3 ) 2 (SeO 4 )(H 2 O) 2 ·(H 2 O) 0.75 (2),已通过水热反应成功合成。其中,Y 2 (SeO 3 ) 2 (SeO 4 )(H 2 O) 2 ·(H 2 O) 0.75(2) 是一种同时含有 Se(IV) 和 Se(VI) 阳离子的新型混合价硒氧化物。Y(HSeO 3 )(SeO 3 )(H 2 O)·(H 2 O) (1) 显示了由通过 O−H···O 键连接的 2D 亚硒酸钇层组成的 3D 结构。Y 2 (SeO 3 ) 2 (SeO 4 )(H 2 O) 2 ·(H 2 O) 0.75 (2) 呈现出由通过SeO 4四面体连接的2D亚硒酸钇层组成的3D结构。Y(HSeO 3 )(SeO 3 )(H 2 O)·(H 2O) (1) 在手性空间群P 2 1 2 1 2 1中结晶,可以显示适度的 SHG 强度,约为商业 KH 2 PO 4 (KDP) 的 0.7 倍。其粉末激光损伤阈值量估计为120.2 MW/cm 2,约为AGS(2.6 MW/cm 2)的46.2倍。紫外-可见-近红外光谱反射光谱显示这些固体是宽带隙化合物,Eg分别为 5.5 和 5.1 eV。理论计算表明Y(HSeO 3 )(SeO 3 )(H 2 O)·(H 2O) (1)是一种间接带隙结构,其带隙由O和Se原子决定。