...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Journal of Computational Electronics >On the optoelectronic properties of non-covalently functionalized graphene for solar cell application
【24h】

On the optoelectronic properties of non-covalently functionalized graphene for solar cell application

机译：非共价官能化石墨烯在太阳能电池中的光电性能

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

In this study, we report a simple approach toward the non-covalent functionalization of graphene by anthracene and thiophene molecules in different configurations, depending on the direction of the molecules approach to the surface of graphene. We examined structural, optoelectronic and vibrational properties of graphene before and after interaction with anthracene and thiophene. The density functional theory at B3LYP with 6-311G(d,p), 6-31G(d,p) and 6-31G(d) was employed to choose appropriate basis set that provides a more accurate molecular-properties description. This is important to compare and understand the deep relationship between the chemical structure of these heterostructures and their related properties to be chosen as an active layer in electronic devices. The device-based thiophene-graphene with perpendicular configuration film as an active layer in CdTe/CdS solar cell shows the best performance with a power conversion efficiency of 9.58%, an open-circuit voltage of 0.7 V, a short-circuit current density of 24.47 mA cm(2) and a fill factor of 55.92% under simulated AM1.5 conditions at 1000 W m(2).
机译：在这项研究中，我们报告了一种通过蒽和噻吩分子以不同构型对石墨烯进行非共价官能化的简单方法，具体取决于分子接近石墨烯表面的方向。我们研究了与蒽和噻吩相互作用之前和之后石墨烯的结构，光电和振动特性。采用B3LYP的密度泛函理论，使用6-311G（d，p），6-31G（d，p）和6-31G（d）来选择适当的基础集，以提供更准确的分子特性描述。比较和理解这些异质结构的化学结构与其相关特性之间的深层联系非常重要，这些异质结构将被选作电子设备中的活性层。在CdTe / CdS太阳能电池中，具有垂直配置膜作为有源层的基于器件的噻吩石墨烯具有最佳性能，功率转换效率为9.58％，开路电压为0.7 V，短路电流密度为24.47 mA cm（2）和在1000 W m（2）的模拟AM1.5条件下的填充系数为55.92％。

著录项

  • 来源
    《Journal of Computational Electronics》 |2018年第2期|791-809|共19页
  • 作者

    Chouk Rihab; Bergaoui Manel; Khalfaoui Mohamed;

  • 作者单位

    Univ Monastir, Higher Inst Comp Sci & Math Monastir, Dept Technol, Res Team Mat Sci Microelect & Nanotechnol, Monastir 5000, Tunisia;

    Univ Monastir, Higher Inst Comp Sci & Math Monastir, Dept Technol, Res Team Mat Sci Microelect & Nanotechnol, Monastir 5000, Tunisia;

    Univ Monastir, Higher Inst Comp Sci & Math Monastir, Dept Technol, Res Team Mat Sci Microelect & Nanotechnol, Monastir 5000, Tunisia;

  • 收录信息
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    Graphene; DFT; Ab-initio; Electronic properties; Electronic devices;

    机译：石墨烯;DFT;Ab-initio;电子性质;电子器件;

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号