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Graphene-covered perovskites: an effective strategy to enhance light absorption and resist moisture degradation

机译:石墨烯覆盖的蠕动:一种提高光吸收和抗蚀剂降解的有效策略

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摘要

The long-term stability of methylammonium lead triiodide (MAPbI(3)) perovskite in moist environments is a paramount challenge to realise the commercialization of perovskite solar cells. In an attempt to address this concern, we have carried out systematic first-principles studies on the MAPbI(3) perovskite with a hydrophobic graphene layer interfaced as a water barrier. We find there is a charge transfer at the graphene/MAPbI(3) interface and electrons can be excited from graphene into the perovskite surface, leading to well separated electron-hole pairs, i.e. reduced recombination. By studying the optical properties, we find the hybrid graphene/MAPbI(3) nanocomposite displays enhanced light absorption compared with the pristine MAPbI(3). Furthermore, from an ab initio molecular dynamics simulation, the graphene/MAPbI(3) nanocomposite is confirmed to be able to resist the reaction with water molecules, highlighting a great advantage of this nanocomposite in promoting long-term photovoltaic performance.
机译:在潮湿环境中的甲基甲基铅三碘化物(Mapbi(3))钙钛矿的长期稳定性是实现钙钛矿太阳能电池的商业化的概念挑战。为了解决这一问题,我们已经对MAPBI(3)钙钛矿进行了系统的第一原理研究,其中疏水石墨烯层接合为水屏障。我们发现石墨烯/ MAPBI(3)接口的电荷转移,电子可以从石墨烯激发到钙钛合物表面中,导致井分离的电子空穴对,即减少的重组。通过研究光学性质,我们发现杂交石墨烯/ MAPBI(3)纳米复合材料与原始MAPBI(3)相比显示出增强的光吸收。此外,从AB Initio分子动力学模拟中,证实石墨烯/ MAPBI(3)纳米复合材料能够抵抗与水分子的反应,突出该纳米复合材料在促进长期光伏性能方面的大大优势。

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  • 来源
    《RSC Advances》 |2015年第100期|共5页
  • 作者单位

    Queensland Univ Technol Fac Sci &

    Engn Sch Chem Phys &

    Mech Engn Brisbane Qld 4001 Australia;

    Queensland Univ Technol Fac Sci &

    Engn Sch Chem Phys &

    Mech Engn Brisbane Qld 4001 Australia;

    Queensland Univ Technol Fac Sci &

    Engn Sch Chem Phys &

    Mech Engn Brisbane Qld 4001 Australia;

    Queensland Univ Technol Fac Sci &

    Engn Sch Chem Phys &

    Mech Engn Brisbane Qld 4001 Australia;

    Queensland Univ Technol Fac Sci &

    Engn Sch Chem Phys &

    Mech Engn Brisbane Qld 4001 Australia;

    Univ Bremen Bremen Ctr Computat Mat Sci D-28359 Bremen Germany;

    Queensland Univ Technol Fac Sci &

    Engn Sch Chem Phys &

    Mech Engn Brisbane Qld 4001 Australia;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 化学;
  • 关键词

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