论文标题

亚稳态缺陷结构对太阳能电池中载体重组的影响

Impact of metastable defect structures on carrier recombination in solar cells

论文作者

Kavanagh, Seán R., Scanlon, David O., Walsh, Aron, Freysoldt, Christoph

论文摘要

太阳能电池的效率通常受到光伏(PV)半导体的带隙内的缺陷状态介导的电子孔重组的限制。 Shockley-Read-Hall(SRH)模型考虑了一个可以依次捕获电子和孔的静态陷阱。但是,实际上,真正的陷阱水平随缺陷电荷状态和局部结构而变化。在这里,我们将亚稳态结构在捕获电子和孔中的作用,以CDTE中的牙间质质式插入为例。考虑缺陷动力学和对称性破坏,改变了定性行为,并激活了载体捕获的新途径。我们的结果揭示了亚稳态缺陷结构在非辐射重组中的潜在重要性,尤其是对于具有Anharmonic/Ionic-Coal-Coal键合,多元组成,低晶体对称性或高度移动性缺陷的半导体。

The efficiency of a solar cell is often limited by electron-hole recombination mediated by defect states within the band gap of the photovoltaic (PV) semiconductor. The Shockley-Read-Hall (SRH) model considers a static trap that can successively capture electrons and holes. In reality however, true trap levels vary with both the defect charge state and local structure. Here we consider the role of metastable structural configurations in capturing electrons and holes, taking the tellurium interstitial in CdTe as an illustrative example. Consideration of the defect dynamics, and symmetry-breaking, changes the qualitative behaviour and activates new pathways for carrier capture. Our results reveal the potential importance of metastable defect structures in non-radiative recombination, in particular for semiconductors with anharmonic/ionic-covalent bonding, multinary compositions, low crystal symmetries or highly-mobile defects.

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