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机译：太阳能电池

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On page 5089, Keian Noori and Feliciano Giustino report a first-principles atomic-scale investigation of the photovoltaic interface between ZnO and poly(3-hexylthiophene) (P3HT). It is shown that the ideal open-circuit voltage of this interface, i.e., the maximum voltage that can be achieved in the absence of defects, is significantly higher than previous estimates. This finding makes ZnO/P3HT blends attractive for nanostructured photovoltaics. The image shows an atomistic model of the ZnO/P3HT interface and the highest occupied molecular orbital of the polymer.

机译：在第5089页上，Keian Noori和Feliciano Giustino报告了ZnO与聚（3-己基噻吩）（P3HT）之间光伏界面的第一性原理原子级研究。结果表明，该接口的理想开路电压，即在没有缺陷的情况下可以达到的最大电压，明显高于先前的估计。这一发现使ZnO / P3HT混合物对纳米结构的光伏具有吸引力。该图显示了ZnO / P3HT界面和聚合物的最高占据分子轨道的原子模型。

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《Advanced Functional Materials》 |2012年第24期|5067-5067|共1页
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