• 文献标题:   Multiple Heterojunction System of Boron Nitride-Graphene/Black Phosphorene as Highly Efficient Solar Cell
  • 文献类型:   Article
  • 作  者:   ZENG J, XU L, DONG KJ, YANG K, WANG LL
  • 作者关键词:   bngr, bp, excitonic solar cell, firstprinciples calculation, heterojunction
  • 出版物名称:   ADVANCED THEORY SIMULATIONS
  • ISSN:  
  • 通讯作者地址:  
  • 被引频次:   8
  • DOI:   10.1002/adts.202100169 EA AUG 2021
  • 出版年:   2021

▎ 摘  要

Excitonic solar cell (XSC) based on 2D materials has attracted widespread attention. Using first-principles calculations, XSC with high theoretical power conversion efficiency of around 21.3% formed by the combination of 2D cross-linked hexagonal boron nitride-graphene (BN-GR) and black phosphorene (BP) is rationally designed in this work. The good visible-light response, small conduction band offset, as well as the suitable band-gap (1.41 eV) of electron donor (BN-GR) lay the foundation for the excellent photoelectric conversion performance of the BN-GR/BP heterojunction. More importantly, it is found that the substrate (BN-GR) with different composition can drive uneven interlayer charge transfer in the BN-GR/BP heterojunction, resulting in the formation of an obvious electron-hole puddle at the heterojunction interface. This forms a lateral discharge functional optoelectronic device in addition to the vertical direction, which may even be a new development direction for electronic energy storage devices in the future.