Atomistic origins of high-performance in hybrid halide perovskite solar cells.
Atomistic origins of high-performance in hybrid halide perovskite solar cells.
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DOI：
10.1021/nl500390f
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发表时间：
2014-05-14
期刊：
影响因子：
10.8
通讯作者：
Walsh A
中科院分区：
文献类型：
--
作者：
Frost JM;Butler KT;Brivio F;Hendon CH;van Schilfgaarde M;Walsh A
有机金属钙钛矿太阳能电池的性能已经迅速超过了传统的染料敏化和有机光致变色材料。高功率转换效率可以在介孔和薄膜器件结构中实现。我们解决了这一成功的起源的背景下，材料化学和物理的大块钙钛矿所描述的电子结构计算。除了对于高效光伏器件必不可少的基本光电性质（光谱上合适的带隙、高光学吸收、低载流子有效质量）之外，材料在结构和组成上是柔性的。正如我们所展示的，混合钙钛矿表现出自发的电极化，我们还提出了通过明智地选择有机阳离子来调节的方法。铁电畴的存在将导致内部结，其可以有助于光激发的电子和空穴对的分离，以及通过电荷载流子的分离减少复合。高介电常数和低有效质量的组合促进了Wannier-Mott激子分离和施主和受主缺陷的有效电离。在纳米结构薄膜中可以利用光铁性效应来产生更高的开路电压，并且可能有助于在钙钛矿太阳能电池中观察到的电流-电压滞后。
The performance of organometallic perovskite solar cells has rapidly surpassed that of both conventional dye-sensitized and organic photovoltaics. High-power conversion efficiency can be realized in both mesoporous and thin-film device architectures. We address the origin of this success in the context of the materials chemistry and physics of the bulk perovskite as described by electronic structure calculations. In addition to the basic optoelectronic properties essential for an efficient photovoltaic device (spectrally suitable band gap, high optical absorption, low carrier effective masses), the materials are structurally and compositionally flexible. As we show, hybrid perovskites exhibit spontaneous electric polarization; we also suggest ways in which this can be tuned through judicious choice of the organic cation. The presence of ferroelectric domains will result in internal junctions that may aid separation of photoexcited electron and hole pairs, and reduction of recombination through segregation of charge carriers. The combination of high dielectric constant and low effective mass promotes both Wannier-Mott exciton separation and effective ionization of donor and acceptor defects. The photoferroic effect could be exploited in nanostructured films to generate a higher open circuit voltage and may contribute to the current–voltage hysteresis observed in perovskite solar cells.
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影响因子：
56.9
作者：
Lee, Michael M.;Teuscher, Joel;Snaith, Henry J.
通讯作者：
Snaith, Henry J.
影响因子：
35
作者：
Heo, Jin Hyuck;Im, Sang Hyuk;Seok, Sang Il
通讯作者：
Seok, Sang Il
影响因子：
3.7
作者：
Kresse, G;Furthmuller, J
通讯作者：
Furthmuller, J
影响因子：
2.8
作者：
HIRASAWA, M;ISHIHARA, T;MIURA, N
通讯作者：
MIURA, N
DOI：
10.1107/s0567740872007976
发表时间：
1972-01-01
期刊：
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
影响因子：
--
作者：
GLAZER, AM
通讯作者：
GLAZER, AM