通过压力应变工程调整铁电光伏在R-CuNbO中的性能:一项第一原则研究
Zu-Da He1, Wen-Ce Li1, Jin-Long Yang1
1Department of Physics, School of Science, Guangdong University of Petrochemical Technology Maoming Guangdong 525000 PR China chenxingyuan@gdupt.edu.cn +86-668-2923567 +86-668-2923838.
RSC advances
|November 29, 2023
概括
铜酸盐 (CuNbO3) 显示出作为铁电光伏材料的前景. 压缩应变增强了其可见光吸收,并将光电转换效率提高到29.9%.
科学领域:
- 材料科学 材料科学 材料科学
- 固态物理 固态物理
- 太阳能光伏发电是如何实现的
背景情况:
- 铁电氧化物通常具有宽带间隙,限制了它们在太阳能电池中的使用.
- 铜酸 (CuNbO3) 呈现极性结构,有可能用于光伏应用.
研究的目的:
- 研究R3c-CuNbO3.3的光学和铁电性质.
- 在光伏应用中确定应变对这些特性的影响.
主要方法:
- 使用了第一原则计算.
- 对R3c-CuNbO3的带间隙,光学吸收和应变下的铁电行为进行分析.
主要成果:
- R3c-CuNbO3具有适度的带间隙,适合可见光吸收.
- 压缩应变减少了带间隙,并将光电转换效率提高到29.9%.
- 由于强大的Nb-O键相互作用,铁电特性在压缩应变下保持.
结论:
- NbO3显示出作为一种高效的铁电光伏材料的潜力.
- 压力应变的调节可以优化可见光吸收和铁电行为.
- 这种材料对下一代太阳能技术具有前景.
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