溶液法CH3NH3PbCl3单晶的生长与性能研究  

Solution Growth and Performance of CH_3NH_3PbCl_3 Single Crystal

作　　者：王万富[1] 苏静[1] 雷勇[1] 仲坤[1] 王迪 WANG Wan-Fu SU Jing LEI Yong ZHONG Kun WANG Di(School of Physics and Optoelectronic Engineering, Nanjing University of Information Science ＆ Technology, Nanjing 210044, China National Laboratory of Solid State Microstructures and Department of Physics and Collaborative Innovation Center of Advanced Microstruetures, Nanjing University, Nanjing 210093, China)

机构地区：[1]南京信息工程大学物理与光电工程学院,南京210044 [2]固体微结构物理国家重点实验室,人工微结构科学与技术协同创新中心,南京210093

出　　处：《无机材料学报》2016年第10期1063-1067,共5页Journal of Inorganic Materials

基　　金：国家自然科学基金(51472123;51302268;51502142);江苏省高等学校大学生实践创新训练计划重点项目(201410300014Z);江苏省'青蓝工程'项目~~

摘　　要：分别采用蒸发结晶法和逆温结晶法生长尺寸约为4 mm′3 mm′3 mm的CH_3NH_3PbCl_3单晶。对两种方法生长的单晶粉体的XRD分析结果显示,单晶具有立方晶系结构,其晶格常数分别为0.56833、0.56891 nm。实验测量了CH_3NH_3PbCl_3单晶的红外光谱(FT-IR)和拉曼光谱,并对谱峰进行了指认;使用UV-VIS-NIR分光光度计、荧光光度计对CH_3NH_3PbCl_3单晶的光学性能进行了测试。结果表明:CH_3NH_3PbCl_3晶体的吸收边约为423 nm,光致发光峰为433 nm,带隙值为2.97 e V,与CH_3NH_3PbCl_3薄膜的光学特性相比,CH_3NH_3PbCl_3单晶更具潜在的应用前景。最后,结合第一性原理研究了CH_3NH_3PbCl_3晶体的能带结构,计算得出带隙值2.428 e V,与实验值吻合较好。Perovskite-type organic-inorganic hybrids CH3NH3PbX3（X= halogen） are good application materials for solid-state solar cell devices. To study the basic performances of these perovskite compounds, growth and opti- cal-electrical properties of the large single crystals with high quality are of great necessity. In present study, CH3NH3PbC13 single crystals with dimension of about 4 mm×3 mm×3 mm were grown by evaporation and inversion crystallization method. Powder X-ray diffraction （PXRD） of the obtained crystals powder showed that the crystals were of cubic structure, and their lattice constants were 0.56833 nm and 0.56891 nm, respectively. Fourier trans- form-infrared （FT-IR） and Raman spectra of the crystals were measured and the peaks were assigned. The optical properties were characterized by UV-VIS-NIR and photoluminescence spectroscopy. The results showed that the absorption edge of CH3NH3PbC13 crystal was about 423 nm, with the photoluminescence peak at 433 nm, the band gap at 2.97 eV. As compared with the optical properties of CH3NH3PbC13 thin films, CH3NH3PbC13 single crystal has application advantages in solar cell. Finally, the band structure of CH3NH3PbC13 crystal was studied by the first principle, and the band gap value was calculated to be 2.428 eV, which was in good agreement with the present ex-perimental result.

关 键 词：CH3NH3PbCl3单晶 蒸发结晶法 逆温结晶法 光谱 

分 类 号：O782[理学—晶体学]