Thermolectricity in irradiated bilayer graphene flakes

Cynthia Ihuoma Osuala, Tanu Choudhary, Raju K. Biswas, Sudin Ganguly, Chunlei Qu, Santanu K. Maiti
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Abstract

We present a comprehensive study on enhancing the thermoelectric (TE) performance of bilayer graphene (BLG) through irradiation with arbitrarily polarized light, focusing on $AA$- and $AB$-stacked configurations with zigzag edges. Utilizing a combination of tight-binding theory and density functional theory (DFT), we systematically analyze the impact of light irradiation on electronic and phononic transport properties. Light irradiation alters the electronic hopping parameters, creating an asymmetric transmission function, which significantly increases the Seebeck coefficient, thereby boosting the overall {\it figure of merit} (FOM). For the phononic contribution, DFT calculations reveal that $AB$-stacked BLG exhibits lower lattice thermal conductivity compared to $AA$-stacked, attributed to enhanced anharmonic scattering and phonon group velocity. The combined analysis shows that FOM exceeds unity in both stacking types, with notable improvements near the irradiation-induced gap. Additionally, we explore the dependence of FOM on the system dimensions and temperature, demonstrating that light-irradiated BLG holds great promise for efficient thermoelectric energy conversion and waste heat recovery. Our results show favorable responses over a wide range of irradiation parameters. These findings provide crucial insights into optimizing BLG for advanced TE applications through light-induced modifications.
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辐照双层石墨烯薄片的热电性
我们介绍了通过任意偏振光照射提高双层石墨烯(BLG)热电性能的综合研究,重点是具有之字形边的 $AA$- 和 $AB$- 叠构。我们结合紧密结合理论和密度泛函理论(DFT),系统分析了光照射对电子和声子输运特性的影响。光照射改变了电子跳变参数,产生了非对称传输函数,从而显著增加了塞贝克系数,从而提高了整体{/it figure of merit}(FOM)。在声子贡献方面,DFT 计算显示,与堆叠在一起的 $AA$ BLG 相比,堆叠在一起的 $AB$ BLG 表现出较低的晶格热导率,这归因于非谐波散射和声子群速度的增强。综合分析表明,两种堆叠类型的 FOM 都超过了统一值,在其辐射诱导间隙附近有明显改善。此外,我们还探讨了 FOM 与系统尺寸和温度的关系,证明光照射 BLG 在高效热电能量转换和余热回收方面具有广阔前景。我们的研究结果表明,在很宽的辐照参数范围内都能获得良好的响应。这些发现为通过光诱导改性优化 BLG 以用于先进的 TE 应用提供了重要的启示。
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