Effect of halide-mixing on the electronic transport properties of organometallic perovskites
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- 作者：G.R. Berdiyorov<sup>asup><sup> ; sup><sup>gberdiyorov@qf.org.qa" class="auth_mail" title="E-mail the corresponding authorsup> ; F. El-Mellouhi<sup>asup> ; M.E. Madjet<sup>asup> ; F.H. Alharbi<sup>asup><sup> ; sup><sup>bsup> ; F.M. Peeters<sup>csup> ; S. Kais<sup>asup><sup> ; sup><sup>bsup><sup> ; sup><sup>dsup>
- 关键词：Hybrid perovskite ; Electronic transport ; Green׳s functions ; Density functional theory
- 刊名：Solar Energy Materials and Solar Cells
- 出版年：2016
- 出版时间：April 2016
- 年：2016
- 卷：148
- 期：Complete
- 页码：2-10
- 全文大小：1544 K
文摘
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Electronic transport in CH<sub>3sub>NH<sub>3sub>PbI<sub>3-xsub>Clx and CH<sub>3sub>NH<sub>3sub>PbI<sub>3-xsub>B<sub>xsub> is studied.
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DFT and nonequilibrium Green’s formalism is used in the calculations.
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Halide mixing has a major impact on the electronic transport.
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The electronic transport can be increased by more than a factor of 4.
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Largest conductance is observed for small concentration of halide substitutions.
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Our findings are in good agreement with the recent experiment.