Multiple Heterojunction System of Boron Nitride-Graphene/Black Phosphorene as Highly Efficient Solar Cell
Multiple Heterojunction System of Boron Nitride-Graphene/Black Phosphorene as Highly Efficient Solar Cell
复制标题
氮化硼-石墨烯/黑磷烯多异质结体系作为高效太阳能电池
DOI：
10.1002/adts.202100169
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发表时间：
2021
影响因子：
3.3
通讯作者：
Wang Ling-Ling
中科院分区：
文献类型：
--
作者：
Zeng Jian;Xu Liang;Dong Kejun;Yang Kai;Wang Ling-Ling
基于二维材料的激子太阳能电池（XSC）引起了广泛的关注。使用第一性原理计算，在这项工作中，通过2D交联六方氮化硼-石墨烯（BN-GR）和黑磷烯（BP）的组合形成的具有约21.3%的高理论功率转换效率的XSC被合理地设计。良好的可见光响应、小的导带偏移以及合适的电子施主（BN-GR）带隙（1.41 eV）为BN-GR/BP异质结优异的光电转换性能奠定了基础。更重要的是，发现不同成分的衬底（BN-GR）可以驱动BN-GR/BP异质结中不均匀的层间电荷转移，导致异质结界面处形成明显的电子-空穴水坑。这就形成了除了垂直方向之外的横向放电功能光电器件，甚至可能是未来电子储能器件的一个新的发展方向。
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.