Thermolectricity in irradiated bilayer graphene flakes

Cynthia Ihuoma Osuala, Tanu Choudhary, Raju K. Biswas, Sudin Ganguly, Chunlei Qu, Santanu K. Maiti
{"title":"Thermolectricity in irradiated bilayer graphene flakes","authors":"Cynthia Ihuoma Osuala, Tanu Choudhary, Raju K. Biswas, Sudin Ganguly, Chunlei Qu, Santanu K. Maiti","doi":"arxiv-2409.10380","DOIUrl":null,"url":null,"abstract":"We present a comprehensive study on enhancing the thermoelectric (TE)\nperformance of bilayer graphene (BLG) through irradiation with arbitrarily\npolarized light, focusing on $AA$- and $AB$-stacked configurations with zigzag\nedges. Utilizing a combination of tight-binding theory and density functional\ntheory (DFT), we systematically analyze the impact of light irradiation on\nelectronic and phononic transport properties. Light irradiation alters the\nelectronic hopping parameters, creating an asymmetric transmission function,\nwhich significantly increases the Seebeck coefficient, thereby boosting the\noverall {\\it figure of merit} (FOM). For the phononic contribution, DFT\ncalculations reveal that $AB$-stacked BLG exhibits lower lattice thermal\nconductivity compared to $AA$-stacked, attributed to enhanced anharmonic\nscattering and phonon group velocity. The combined analysis shows that FOM\nexceeds unity in both stacking types, with notable improvements near the\nirradiation-induced gap. Additionally, we explore the dependence of FOM on the\nsystem dimensions and temperature, demonstrating that light-irradiated BLG\nholds great promise for efficient thermoelectric energy conversion and waste\nheat recovery. Our results show favorable responses over a wide range of\nirradiation parameters. These findings provide crucial insights into optimizing\nBLG for advanced TE applications through light-induced modifications.","PeriodicalId":501369,"journal":{"name":"arXiv - PHYS - Computational Physics","volume":"22 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"arXiv - PHYS - Computational Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/arxiv-2409.10380","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

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.
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
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。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
自引率
0.00%
发文量
0
期刊最新文献
Designing a minimal Landau theory to stabilize desired quasicrystals Uncovering liquid-substrate fluctuation effects on crystal growth and disordered hyperuniformity of two-dimensional materials Exascale Quantum Mechanical Simulations: Navigating the Shifting Sands of Hardware and Software Influence of dislocations in multilayer graphene stacks: A phase field crystal study AHKASH: a new Hybrid particle-in-cell code for simulations of astrophysical collisionless plasma
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1