Almeida P A, Martins G B
Instituto de Física, Universidade Federal de Uberlândia, Uberlândia, Minas Gerais 38400-902, Brazil.
J Phys Condens Matter. 2022 Jun 17;34(33). doi: 10.1088/1361-648X/ac76fc.
In this paper, we numerically analyze the thermoelectric (TE) properties of recently synthesized graphene nanoribbon (GNR) heterostructures that are obtained as extensions of pristine armchair graphene nanoribbons (AGNRs). After simulating their band structure through a nearest-neighbor tight-binding model, we use the Landauer formalism to calculate the necessary TE coefficients, with which we obtain the electrical conductance, thermopower, thermal conductance, linear-response thermocurrentIth/ΔT=GS, and figure of merit(using literature results for the phonon thermal conductance), at room temperature. We then compare the results for the nanoribbon heterostructures with those for the pristine AGNR nanoribbons. The comparison shows that the metallic AGNRs become semiconducting (with much highervalues) after the inclusion of the extensions that transform them into heterostructures and that some heterostructures have higher values ofwhen compared to the semiconducting pristine AGNRs from which they have originated.
在本文中，我们对最近合成的石墨烯纳米带（GNR）异质结构的热电（TE）特性进行了数值分析，这些异质结构是由原始扶手椅型石墨烯纳米带（AGNR）延伸得到的。通过最近邻紧束缚模型模拟其能带结构后，我们使用兰道尔形式主义来计算所需的TE系数，据此我们在室温下获得了电导、热功率、热导、线性响应热电流Ith/ΔT = GS以及优值（使用声子热导的文献结果）。然后我们将纳米带异质结构的结果与原始AGNR纳米带的结果进行比较。比较结果表明，金属性的AGNR在包含使其转变为异质结构的延伸部分后变为半导体（具有更高的值），并且一些异质结构与它们所源自的半导体原始AGNR相比具有更高的 值。
