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Electronic and Thermoelectric Properties in SnS-Nanoribbon-Based Heterojunctions

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As an earth-abundant and environmentally friendly material,tin sulfide(SnS)is not only a high-performance photovoltaic material,but also a new promising thermoelectric material.Despite extensive research on the thermoelectric properties of this material in recent years,the room-temperature thermoelectric figure of merit(ZT)of SnS has not been broke through 2[2022 Sci.China Mater.65 1143].In this work,based on a combination of density functional theory and non-equilibrium Green's function method,the electronic and thermoelectric properties in SnS-nanoribbon-based heterojunctions are studied.The results show that although SnS nanoribbons(SNSNRs)with zigzag edges(ZSNSNRs)and armchair edges(ASNSNRs)both have semiconductor properties,the bandgaps of ASNSNRs are much wider than those of ZSNSNRs,which induces much wider conductance gaps of N-ASNSNR(N is the number of tin-sulfide lines across the ribbon width)).In the positive energy region,the ZT peaks of L-SNS-Au are much larger than those of L-SNS-GNR(L represents the number of longitudinal repeating units of SNSNR in the scattering region).While in the positive energy region,the ZT peaks of L-SNS-GNR are larger than those of L-SNS-Au.Further calculations reveal that the figure of merit will be over 3.7 in L-SNS-Au and 2.2 in L-SNS-GNR at room temperature,and over 4 in L-SNS-Au and 2.6 in L-SNS-GNR at 500 K.

张凯波、谭仕华、彭小芳、龙孟秋

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Hunan Province Key Laboratory of Materials Surface or Interface Science and Technology,Central South University of Forestry and Technology,Changsha 410004,China

School of Physics and Electronics,Central South University,Changsha 410083,China

key projects of Hunan Provincial Department of EducationHunan Provincial Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaTalent Introducing Foundation of Central South University of Forestry and Technology

21A01672019JJ40532117044171197410611247030104-0160

2024

10.1088/0256-307X/41/9/097301

中国物理快报(英文版)
中国科学院物理研究所,中国物理学会

中国物理快报(英文版)

CSTPCDEI
影响因子：0.515
ISSN：0256-307X
年,卷(期)：2024.41(9)