兰州大学机构库 >核科学与技术学院
Quadruple-layer group-IV tellurides: low thermal conductivity and high performance two-dimensional thermoelectric materials
Wei, Qiang-Lin1,2; Zhu, Xue-Liang3; Liu, Peng-Fei4,5; Wu, Yi-Yuan2; Ma, Jiang-Jiang4,5; Liu, Yi-Bao2; Li, YH(李玉红)1; Wang, Bao-Tian4,5,6
2021-03-21
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN1463-9076
Volume23Issue:11Pages:6388-6396
AbstractThrough first-principles calculations, we report the thermoelectric properties of two-dimensional (2D) hexagonal group-IV tellurides XTe (X = Ge, Sn and Pb), with quadruple layers (QL) in the Te-X-X-Te stacking sequence, as promising candidates for mid-temperature thermoelectric (TE) materials. The results show that 2D PbTe exhibits a high Seebeck coefficient (similar to 1996 mu V K-1) and a high power factor (6.10 x 10(11) W K-2 m(-1) s(-1)) at 700 K. The lattice thermal conductivities of QL GeTe, SnTe and PbTe are calculated to be 2.29, 0.29 and 0.15 W m(-1) K-1 at 700 K, respectively. Using our calculated transport parameters, large values of the thermoelectric figure of merit (ZT) of 0.67, 1.90, and 2.44 can be obtained at 700 K under n-type doping for 2D GeTe, SnTe, and PbTe, respectively. Among the three compounds, 2D PbTe exhibits low average values of sound velocity (0.42 km s(-1)), large Gruneisen parameters (similar to 23), and strong phonon scattering. Thus, 2D PbTe shows remarkable mid-temperature TE performance with a high ZT value under both p-type (2.39) and n-type (2.44) doping. The present results may motivate further experimental efforts to verify our predictions.
PublisherROYAL SOC CHEMISTRY
DOI10.1039/d1cp00469g
Indexed ByEI ; SCOPUS ; SCIE
Language英语
WOS Research AreaChemistry ; Physics
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS IDWOS:000632849700002
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.lzu.edu.cn/handle/262010/449335
Collection核科学与技术学院
Corresponding AuthorLi, Yu-Hong; Wang, Bao-Tian
Affiliation1.Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Peoples R China;
2.East China Univ Technol, Engn Res Ctr Nucl Technol Applicat, Minist Educ, Nanchang 330013, Jiangxi, Peoples R China;
3.Xiangtan Univ, Sch Phys & Optoelect, Xiangtan 411105, Hunan, Peoples R China;
4.Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China;
5.Spallat Neutron Source Sci Ctr SNSSC, Dongguan 523803, Peoples R China;
6.Shanxi Univ, Collaborat Innovat Ctr Extreme Optic, Taiyuan 030006, Peoples R China
First Author AffilicationSchool of Nuclear Science and Technology
Corresponding Author AffilicationSchool of Nuclear Science and Technology
Recommended Citation
GB/T 7714
Wei, Qiang-Lin,Zhu, Xue-Liang,Liu, Peng-Fei,et al. Quadruple-layer group-IV tellurides: low thermal conductivity and high performance two-dimensional thermoelectric materials[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2021,23(11):6388-6396.
APA Wei, Qiang-Lin.,Zhu, Xue-Liang.,Liu, Peng-Fei.,Wu, Yi-Yuan.,Ma, Jiang-Jiang.,...&Wang, Bao-Tian.(2021).Quadruple-layer group-IV tellurides: low thermal conductivity and high performance two-dimensional thermoelectric materials.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,23(11),6388-6396.
MLA Wei, Qiang-Lin,et al."Quadruple-layer group-IV tellurides: low thermal conductivity and high performance two-dimensional thermoelectric materials".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23.11(2021):6388-6396.
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