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A fast and robust numerical scheme for solving models of charge carrier transport and ion vacancy motion in perovskite solar cells

机译:一种快速而稳定的数值方案,用于求解钙钛矿太阳能电池中的载流子传输和离子空位运动模型

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Drift-diffusion models that account for the motion of ion vacancies and electronic charge carriers are important tools for explaining the behaviour, and guiding the development, of metal halide perovskite solar cells. Computing numerical solutions to such models in realistic parameter regimes, where the short Debye lengths give rise to boundary layers in which the solution varies extremely rapidly, is challenging. Two suitable numerical methods, that can effectively cope with the spatial stiffness inherent to such problems, are presented and contrasted (a finite element scheme and a finite difference scheme). Both schemes are based on an appropriate choice of non-uniform spatial grid that allows the solution to be computed accurately in the boundary layers. An adaptive time step is employed in order to combat a second source of stiffness, due to the disparity in timescales between the motion of the ion vacancies and electronic charge carriers. It is found that the finite element scheme provides significantly higher accuracy, in a given compute time, than both the finite difference scheme and some previously used alternatives (Chebfun and pdepe). An example transient sweep of a current-voltage curve for realistic parameter values can be computed using this finite element scheme in only a few seconds on a standard desktop computer. (C) 2018 The Author(s). Published by Elsevier Inc.
机译:解释离子空位和电子电荷载流子运动的漂移扩散模型是解释金属卤化物钙钛矿太阳能电池的行为并指导其发展的重要工具。在逼真的参数范围内计算此类模型的数值解决方案非常困难,因为短的Debye长度会导致边界层,解决方案变化极快。提出并对比了两种可以有效处理此类问题固有的空间刚度的数值方法(有限元方案和有限差分方案)。两种方案都基于适当选择的非均匀空间网格,该网格允许在边界层中精确计算解决方案。由于离子空位运动与电子载流子之间的时标差异,采用了自适应时间步长以对抗第二个刚度源。已经发现,在给定的计算时间内,有限元方案比有限差分方案和某些以前使用的替代方案(Chebfun和pdepe)具有更高的精度。在标准台式计算机上,仅需几秒钟的时间,就可以使用此有限元方案来计算出实际电压值的电流-电压曲线的瞬态扫描示例。 (C)2018作者。由Elsevier Inc.发布

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