Ionic transport in hybrid lead iodide perovskite solar cells.
Ionic transport in hybrid lead iodide perovskite solar cells.
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DOI：
10.1038/ncomms8497
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发表时间：
2015-06-24
影响因子：
16.6
通讯作者：
Islam, M. Saiful
中科院分区：
文献类型：
--
作者：
Eames, Christopher;Frost, Jarvist M.;Barnes, Piers R. F.;O'Regan, Brian C.;Walsh, Aron;Islam, M. Saiful
基于有机-无机卤化物钙钛矿的太阳能电池最近显示出快速上升的功率转换效率，但表现出不寻常的行为，如电流-电压滞后和低频巨介电响应。离子运输已被认为是一个重要的因素，有助于这些影响，但是，这种运输和移动的物种的化学起源尚不清楚。在这里，在甲基铵碘化铅（CH 3 NH3 PbI 3）的离子迁移的活化能来自第一原理，并与动力学数据提取的钙钛矿型太阳能电池的电流-电压响应进行比较。我们确定的微观运输机制，并找到一个活化能为0.6 eV的碘离子，在良好的协议与动力学测量轻松的空位辅助迁移。这种计算和实验相结合的研究结果表明，混合卤化物钙钛矿是混合的离子-电子导体，这一发现对太阳能电池器件架构具有重大意义。 了解有机-无机卤化物钙钛矿中的离子传输机制对于未来太阳能电池的设计至关重要。在这里，Eames等人进行了一项实验和计算相结合的研究，以阐明离子导电物质，并帮助合理化在这些钙钛矿基器件中观察到的不寻常行为。
Solar cells based on organic–inorganic halide perovskites have recently shown rapidly rising power conversion efficiencies, but exhibit unusual behaviour such as current–voltage hysteresis and a low-frequency giant dielectric response. Ionic transport has been suggested to be an important factor contributing to these effects; however, the chemical origin of this transport and the mobile species are unclear. Here, the activation energies for ionic migration in methylammonium lead iodide (CH3NH3PbI3) are derived from first principles, and are compared with kinetic data extracted from the current–voltage response of a perovskite-based solar cell. We identify the microscopic transport mechanisms, and find facile vacancy-assisted migration of iodide ions with an activation energy of 0.6 eV, in good agreement with the kinetic measurements. The results of this combined computational and experimental study suggest that hybrid halide perovskites are mixed ionic–electronic conductors, a finding that has major implications for solar cell device architectures. Understanding the mechanism of ionic transport in organic–inorganic halide perovskites is crucial for the design of future solar cells. Here, Eames et al. undertake a combined experimental and computational study to elucidate the ion conducting species and help rationalize the unusual behaviour observed in these perovskite-based devices.
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影响因子：
16.6
作者：
Bergmann, Victor W.;Weber, Stefan A. L.;Berger, Ruediger
通讯作者：
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影响因子：
6.7
作者：
Im, Jeong-Hyeok;Lee, Chang-Ryul;Park, Nam-Gyu
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影响因子：
35
作者：
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影响因子：
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作者：
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通讯作者：
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影响因子：
10.8
作者：
Frost JM;Butler KT;Brivio F;Hendon CH;van Schilfgaarde M;Walsh A
通讯作者：
Walsh A