Subfemtosecond charge dynamics in vertically stacked bilayer silicene,International Journal of Quantum Chemistry

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Subfemtosecond charge dynamics in vertically stacked bilayer silicene
International Journal of Quantum Chemistry ( IF 2.3 ) Pub Date : 2020-10-27 , DOI: 10.1002/qua.26521
Junais Habeeb Mokkath ₁

Affiliation

Ultrafast charge dynamics in two‐dimensional materials have attracted great interest from both fundamental and applied perspectives due to its significance in the next‐generation battery and solar cells. In this work, using the realistic quantum mechanical real‐time propagation time‐dependent density functional theory (rt‐TDDFT) simulations, we disclose the ultrafast charge dynamics in vertically stacked bilayer silicene subjected to an external bias. Among other insights, our study indicates that even modest changes in interlayer distance produce significant modulations in the ultrafast charge dynamics at the subfemtosecond time scale. The findings in this work may open new pathways for the use of bilayer silicene in novel optoelectronic and photovoltaic devices.

中文翻译：

垂直堆叠的双层硅中的亚飞秒电荷动力学

由于其在下一代电池和太阳能电池中的重要性，二维材料中的超快电荷动力学从基础和应用角度都引起了人们极大的兴趣。在这项工作中，使用逼真的量子力学实时传播随时间变化的密度泛函理论（rt- TDDFT）模拟，我们揭示了垂直堆叠的双层硅在经受外部偏压的情况下的超快电荷动力学。在其他见解中，我们的研究表明，即使在层间距离上进行适度的变化，也会在亚飞秒时间尺度上产生超快电荷动力学的显着调制。这项工作的发现可能会为双层硅在新型光电和光伏器件中的使用开辟新的途径。

更新日期：2020-10-27

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