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First-principles hybrid functional study of the electronic structure and charge carrier mobility in perovskite CH_3NH_3SnI_3 被引量:1
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作者 伍丽娟 赵宇清 +3 位作者 陈畅文 王琳芝 刘标 蔡孟秋 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第10期355-361,共7页
We calculate the electronic properties and carrier mobility of perovskite CH3NH3SnI3as a solar cell absorber by using the hybrid functional method. The calculated result shows that the electron and hole mobilities hav... We calculate the electronic properties and carrier mobility of perovskite CH3NH3SnI3as a solar cell absorber by using the hybrid functional method. The calculated result shows that the electron and hole mobilities have anisotropies with a large magnitude of 1.4 × 104cm2·V-1·s-1along the y direction. In view of the huge difference between hole and electron mobilities, the perovskite CH3NH3 Sn I3can be considered as a p-type semiconductor. We also discover a relationship between the effective mass anisotropy and electronic occupation anisotropy. The above results can provide reliable guidance for its experimental applications in electronics and optoelectronics. 展开更多
关键词 charge carrier mobility nontoxic perovskite solar cell absorber hse06 calculations effective masses anisotropy
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