arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 1904.09796cond-mat.mtrl-sci
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黄铜矿材料AgMX2(M=In,Al; X=S,Se,Te)太阳电池效率的第一性原理预测

First principles prediction of the solar cell efficiency of chalcopyrite materials AgMX2 (M=In,Al; X=S, Se,Te)

GM Dongho-Nguimdo, Emanuel Igumbor, Serges Zambou, Daniel P. Joubert

摘要:

使用光谱有限的最大效率,肖克利和奎瑟预测模型,我们计算的黄铜矿AgMX 2(M=In,Al;X=S,Se,Te)的太阳能效率。给出的结果是基于第一性原理密度泛函理论以及多体微扰理论计算得到的电子和光学性质的估计。本报告的结果与实验数据一致。通过求解Bethe和Salpeter方程,从吸收光谱中精确地估计了光学带隙。拟合的吸收光谱上的Tauc的图,我们还预测,所研究的材料有一个直接允许的光学跃迁。对太阳能电池性能的理论估算表明,Shockley和Queisser模型的效率高于光谱极限最大效率模型的效率。这一改善归因于吸收。

英文摘要:

Using the Spectroscopic Limited Maximum Efficiency, and Shockley and Queisser predictor models, we compute the solar efficiency of the chalcopyrites AgMX2(M=In,Al;X=S,Se,Te). The results presented are based on the estimation of the electronic and optical properties obtained from first principles density functional theory as well as the many-body perturbation theory calculations. The results from this report were consistent with the experimental data. The optical bandgap was accurately estimated from the absorption spectra, obtained by solving the Bethe and Salpeter equation. Fitting the Tauc's plot on the absorption spectra, we also predicted that the materials studied have a direct allowed optical transition. The theoretical estimations of the solar cell performance showed that the efficiencies from the Shockley and Queisser model are higher than those from the spectroscopic limited maximum efficiency model. This improvement is attributed to the absorption.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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