论文标题
部分可观测时空混沌系统的无模型预测
Quantum Mechanical Assessment of Optimal Photovoltaic Conditions in Organic Solar Cells
论文作者
论文摘要
储层计算是预测湍流的有力工具,其简单的架构具有处理大型系统的计算效率。然而,其实现通常需要完整的状态向量测量和系统非线性知识。我们使用非线性投影函数将系统测量扩展到高维空间,然后将其输入到储层中以获得预测。我们展示了这种储层计算网络在时空混沌系统上的应用,该系统模拟了湍流的若干特征。我们表明,使用径向基函数作为非线性投影器,即使只有部分观测并且不知道控制方程,也能稳健地捕捉复杂的系统非线性。最后,我们表明,当测量稀疏、不完整且带有噪声,甚至控制方程变得不准确时,我们的网络仍然可以产生相当准确的预测,从而为实际湍流系统的无模型预测铺平了道路。
Recombination losses contribute to reduce $J_{SC}$, $V_{OC}$ and the fill factor of organic solar cells. Recent advances in non-fullerene organic photovoltaics have shown, nonetheless, that efficient charge generation can occur under small energetic driving forces ($ΔE_{DA}$) and low recombination losses. To shed light on this issue, we set up a coarse-grained open quantum mechanical model for investigating the charge generation dynamics subject to various energy loss mechanisms. The influence of energetic driving force, Coulomb interaction, vibrational disorder, geminate recombination, temperature and external bias are included in the analysis of the optimal photovoltaic conditions for charge carrier generation. The assessment reveals that the overall energy losses are not only minimized when $ΔE_{DA}$ approaches the effective reorganization energy at the interface but also become insensitive to temperature and electric field variations. It is also observed that a moderate reverse bias reduces geminate recombination losses significantly at vanishing driving forces, where the charge generation is strongly affected by temperature.