Impact of metastable defect structures on carrier recombination in solar cells.
Impact of metastable defect structures on carrier recombination in solar cells.
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DOI：
10.1039/d2fd00043a
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发表时间：
2022-10-28
影响因子：
3.4
通讯作者：
Freysoldt, Christoph
中科院分区：
文献类型：
--
作者：
Kavanagh, Sean R.;Scanlon, David O.;Walsh, Aron;Freysoldt, Christoph
太阳能电池的效率通常受到光伏（PV）半导体带隙内缺陷态介导的电子-空穴复合的限制。 Shockley-Read-Hall (SRH) 模型考虑了可以连续捕获电子和空穴的静态陷阱。然而实际上，真正的陷阱能级随着缺陷电荷态和局部结构的变化而变化。在这里，我们以 CdTe 中的碲填隙为例，考虑亚稳态结构配置在捕获电子和空穴中的作用。考虑缺陷动力学和对称性破缺，改变定性行为并激活载流子捕获的新途径。我们的结果揭示了亚稳态缺陷结构在非辐射复合中的潜在重要性，特别是对于具有非谐/离子共价键、多元成分、低晶体对称性或高移动缺陷的半导体。亚稳态缺陷结构可以激活半导体中电子-空穴复合的新途径，特别是对于具有非和谐/混合键合、多元组成、低对称性和/或高移动缺陷的无机化合物。
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. Metastable defect structures can activate novel pathways for electron–hole recombination in semiconductors – particularly for inorganic compounds with anharmonic/mixed bonding, multinary composition, low symmetry and/or highly-mobile defects.
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