Photovoltaic Properties of Two-Dimensional (CH3NH3)2Pb(SCN)2I2 Perovskite: A Combined Experimental and Density Functional Theory Study

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• 作者：Zewen Xiao ; Weiwei Meng ; Bayrammurad Saparov ; Hsin-Sheng Duan ; Changlei Wang ; Chunbao Feng ; Weiqiang Liao ; Weijun Ke ; Dewei Zhao ; Jianbo Wang ; David B. Mitzi ; Yanfa Yan
• 刊名：The Journal of Physical Chemistry Letters
• 出版年：2016
• 出版时间：April 7, 2016
• 年：2016
• 卷：7
• 期：7
• 页码：1213-1218
• 全文大小：410K
• ISSN：1948-7185

文摘

We explore the photovoltaic-relevant properties of the 2D MA₂Pb(SCN)₂I₂ (where MA = CH₃NH₃⁺) perovskite using a combination of materials synthesis, characterization and density functional theory calculation, and determine electronic properties of MA₂Pb(SCN)₂I₂ that are significantly different from those previously reported in literature. The layered perovskite with mixed-anions exhibits an indirect bandgap of ∼2.04 eV, with a slightly larger direct bandgap of ∼2.11 eV. The carriers (both electrons and holes) are also found to be confined within the 2D layers. Our results suggest that the 2D MA₂Pb(SCN)₂I₂ perovskite may not be among the most promising absorbers for efficient single-junction solar cell applications; however, use as an absorber for the top cell of a tandem solar cell may still be a possibility if films are grown with the 2D layers aligned perpendicular to the substrates.