Thermoelectric materials traditionally incorporate heavy metals to achieve low lattice thermal conductivity. However, elements such as Te, Bi, and Pb are costly and pose environmental hazards. In this study, we introduce a novel design strategy for thermoelectric materials, focusing on room-temperature, light-element, and high-ZT materials such as coronene-cyclobutadienoid graphene nanoribbons (cor₄GNRs). This material demonstrates a ZT value exceeding 2.1, attributed to its exceptionally low phonon thermal conductivity resulting from its unique edge structure. Importantly, because its electrical conductance and Seebeck coefficient are nearly unaffected by the edge structure, they remain relatively high. This distinct behavior in phonon and electronic transport properties leads to a remarkably high ZT value. Additionally, we discover that applying strain can significantly reduce phonon thermal conductivity, potentially increasing the ZT value to over 3.0. Our findings provide innovative insights for the design and application of advanced thermoelectric materials.

中文翻译：

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冠烯-环丁二烯类石墨烯纳米带的奇异热电性能


传统上，热电材料采用重金属来实现低晶格热导率。然而，Te、Bi 和 Pb 等元素成本高昂，并且会对环境造成危害。在这项研究中，我们引入了一种新的热电材料设计策略，重点关注室温、轻元素和高 ZT 材料，例如冠状环丁二烯类石墨烯纳米带 （cor₄GNR）。这种材料的 ZT 值超过 2.1，这归因于其独特的边缘结构导致的极低声子导热性。重要的是，由于它的电导率和塞贝克系数几乎不受边缘结构的影响，因此它们仍然相对较高。声子和电子传输特性的这种独特行为导致了非常高的 ZT 值。此外，我们发现施加应变可以显著降低声子热导率，有可能将 ZT 值增加到 3.0 以上。我们的研究结果为先进热电材料的设计和应用提供了创新见解。