| 光敏剂酞菁晶体能带结构研究 |
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| 引用本文： | 张旭苹,孙岳明,章舒,李康.光敏剂酞菁晶体能带结构研究[J].固体电子学研究与进展,2003,23(4):384-388. |
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| 作者姓名： | 张旭苹 孙岳明 章舒 李康 |
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| 作者单位： | 1. 南京大学光通信工程研究中心,南京,210093
2. 东南大学化学系,南京,210096 |
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| 基金项目： | 国家自然科学基金(699780 0 3 )，国家重点基础研究专项经费资助(G19990 2 2 2 09)项目 |
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| 摘 要： | 利用旋转对称性能带程序 ,首次计算了酞菁化合物真实结构的能带 ,讨论了层间距畸变和层间交错对能带结构及导电性质的影响。层间距畸变使能带宽度明显变小 ,层间交错角在 2 2 .5°时 ,带宽最小 ,带隙最大。比较了酞菁简化模型与真实模型计算结果的差异。所得计算结果对酞菁类电导率有很好的符合 ,酞菁类化合物可望用作为太阳能电池的光敏剂
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| 关 键 词： | 酞菁 能带结构 光敏剂 太阳能 |
| 文章编号： | 1000-3819(2003)04-384-05 |
| 修稿时间： | 2003年6月16日 |
Study on the Energy Band Structure of Photo-sensitive Phthalocyanines Crystal |
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| ZHANG Xuping.Study on the Energy Band Structure of Photo-sensitive Phthalocyanines Crystal[J].Research & Progress of Solid State Electronics,2003,23(4):384-388. |
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| Authors: | ZHANG Xuping |
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| Abstract: | Energy band structures of phthalocy anines is studied by means of EHMO. The influences of distortion of inter-ring distance and stagger of layers on band structure and conductivity are discussed. The distortion of inter-ring distance makes the energy band decrease evidently . The band width is minimum and the band gape is largest when the layer stagger an gles is 22 5°. The calculation of simplified model is also compared with that of real model. Calculation results agree well with the conductivity of phthaloc yanines. It is hopeful that the phthalocyanines can be used as photo-sensitizer for solar-cell. |
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| Keywords: | phthalocyanines band structure photo-sensiti zer solar-energy |
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