• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Advanced Functional Materials >Exotic Structural and Optoelectronic Properties of Layered Halide Double Perovskite Polymorphs
【24h】

Exotic Structural and Optoelectronic Properties of Layered Halide Double Perovskite Polymorphs

机译：层状卤化物双钙钛矿多晶型物的异国结构和光电性能

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

摘要

Discovering new types of layered perovskites has great importance for designing novel optoelectronic devices. In this article, combining first-principle calculations with global structure searching, it is found that Rb4SnSb2Br12, a typical halide double perovskite, can unexpectedly possess fertile low formation-energy polymorphs holding van de Walls (vdW) layered structures. Consequently, these polymorphs can be effectively classified into 12 types according to their local octahedral motifs, exhibiting a wide range of bandgap covering the visible spectrum. Interestingly, the structure-dependent bandgap in these polymorphs can be well understood by developing a simple machine learning model. Moreover, as a layered system, the optoelectronic properties of Rb4SnSb2Br12 can be effectively tuned by the layer thickness, and both type-I and type-II band alignment can be achieved in single-compound Rb4SnSb2Br12 heterojunctions. Finally, it is suggested that the Sn-moderate condition can be considered to grow intrinsic p-type Rb4SnSb2Br12 with lower defect density. Those findings not only provide a promising material system for designing the vdW tandem solar cell, but also offer a new opportunity to achieve exotic optoelectronic applications in a single-phase layered perovskite compound.
机译：发现新型分层佩罗夫斯基酯对于设计新颖的光电器件非常重视。在本文中，将具有全局结构搜索的第一原理计算结合在一起，发现RB4SNSB2BR12是典型的卤化物双钙钛矿，可以意外地拥有持有Van De壁（VDW）层状结构的肥沃低形成能量多晶型物。因此，这些多晶型物可以根据其本地八面体图案有效地分为12种类型，呈现出覆盖可见光谱的各种带隙。有趣的是，通过开发简单的机器学习模型，可以很好地理解这些多晶型物中的结构依赖的带隙。此外，作为分层系统，可以通过层厚度有效地调节RB4SNSB2BR12的光电性能，并且可以在单复合RB4SNSB2BR12异质结中实现I型和II型带对准。最后，建议可以认为Sn-中等条件以较低的缺陷密度生长内在的p型RB4SNSB2BR12。这些发现不仅为设计VDW串联太阳能电池提供了一个有希望的材料系统，而且还提供了在单相层状钙钛矿化合物中实现异国电气应用的新机会。

著录项

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