Interface Engineering of Graphene/CH3NH3PbI3 Heterostructure for Novel p-i-n Structural Perovskites Solar Cells
Interface Engineering of Graphene/CH3NH3PbI3 Heterostructure for Novel p-i-n Structural Perovskites Solar Cells
复制标题
新型p-i-n结构钙钛矿太阳能电池石墨烯/CH3NH3PbI3异质结构的界面工程
DOI：
10.1021/acs.jpcc.8b04042
复制
发表时间：
2018
影响因子：
3.7
通讯作者：
Hong-Jian Feng
中科院分区：
文献类型：
--
作者：
Yong-Hua Cao;Zun-Yi Deng;Ming-Zi Wang;Jin-Tao Bai;Su-Huai Wei;Hong-Jian Feng
功能化石墨烯广泛应用于各种功能器件中。本文采用简单的平面电容模型和密度泛函理论研究了石墨烯/CH 3 NH3 PbI 3界面电荷转移的起源，其中石墨烯可以通过与CH 3 NH3 PbI 3不同的暴露表面结合而被掺杂为p型或n型.我们的计算表明，在平衡距离，孤立的石墨烯层的功函数应通过添加一个值来评估电荷转移进行校正。在将钙钛矿薄膜与功能化石墨烯层集成后，我们获得了具有p-i-n构型的货车德瓦尔斯异质结构太阳能电池，其引入了内建电场以促进光生载流子的分离和输运。这种新型p-i-n结突出了石墨烯在太阳能电池中的界面效应，为设计新型高性能光伏器件提供了一条途径。
Functionalized graphene is widely used in various functional devices. Here, we introduce a simple plane capacity model and the density functional theory to investigate the origin of charge transfer in the graphene/CH3NH3PbI3interface, where graphene can be p-type or n-type doped by combining with different exposed surfaces of CH3NH3PbI3. Our calculations indicate that at the equilibrium distance, the work function of isolated graphene layer should be corrected by adding a value for assessing the charge transfer. After integrating the perovskite film with the functionalized graphene layer, we obtain a van der Waals heterostructure solar cell with a p–i–n configuration, which introduces a built-in electrical field to facilitate the separation and transport of the photogenerated carriers. The new p–i–n junction highlights the interface effect on graphene in solar cell, which offers an avenue to design new photovoltaic devices with high performance.