甲胺基-甲脒基混合钙钛矿的第一性原理研究
First-Principles Study of Mixed Cation Methylammonium-Formamidinium Hybrid Perovskite
甲胺基-甲脒基混合钙钛矿的第一性原理研究 |
| 毕富珍,郑晓,任志勇 |
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First-Principles Study of Mixed Cation Methylammonium-Formamidinium Hybrid Perovskite |
| Fuzhen BI,Xiao ZHENG,Chiyung YAM |
| 图3 FA和MA阳离子不同比例(a)混合前后能量的变化∆E; (b) FA1-xMAxPbI3的晶格常数和Pb―I平均键长; (c)带隙和电子(me)和空穴(mh)有效质量 |
| Fig 3 (a) Calculated total energy change ∆E per chemical formula unit; (b) optimized lattice parameters and average Pb―I bond length of FA1-xMAxPbI3; (c) Band gap and effective masses of electron (me) and hole (mh) versus different MA percentages. |
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