Dual-Site Doping and Low-Angle Grain Boundaries Lead to High Thermoelectric Performance in N-Type Bi₂S₃

Yang, Jian1; Ye, Haolin2,3; Zhang, Xiangzhao1; Miao, Xin4; Yang, Xiubo5; Xie, Lin6; Shi, Zhongqi7; Chen, Shaoping4; Zhou, Chongjian2,3; Qiao, Guanjun1; Wuttig, Matthias8,9; Wang, Li2,3; Liu, Guiwu1; Yu, Yuan9

2023-12-01

10.1002/adfm.202306961

ADVANCED FUNCTIONAL MATERIALS   影响因子和分区

1616-301X

1616-3028

Bismuth sulfide (Bi2S3) is a promising thermoelectric material with earth-abundant, low-cost, and environment-friendly constituents. However, it shows poor thermoelectric performance due to its extremely low electrical conductivity derived from the low electron concentration. Here, a high-performance Bi2S3-based material is reported to benefit from the Fermi level tuning by Ag and Cl co-doping and defect engineering by introducing dense low-angle grain boundaries. Both Ag and Cl act as donors in Bi2S3, upshifting the Fermi level. This increases the electron concentration without degrading the electron mobility, thereby obtaining improved electrical conductivity. The electron localization function (ELF) contour map indicates that interstitial Ag causes electron delocalization, showing higher electron mobility in Bi2S3. More importantly, dense low-angle grain boundaries block phonon propagation, yielding an ultralow lattice thermal conductivity of 0.30 W m(-1) K-1. Consequently, a record ZT value of approximate to 0.9 at 676 K is achieved in the Bi2Ag0.01S3-0.5%BiCl3 sample.

bismuth sulfide dual-site doping electron delocalization low-angle grain boundary thermoelectric

SCI ; EI

英语

NI论文

其他

Natural Science Foundation[BK20210779] ; Universities Natural Science Research Project[21KJB430019] ; Qing Lan Project["[2016]15","[2021]"] ; German Research Foundation DFG[SFB917] ; Fundamental Research Funds for the Central University[D5000220051] ; null[52172069] ; null[51572111]

Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics

Chemistry, Multidisciplinary ; Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter

WOS:001119378600001

WILEY-V C H VERLAG GMBH

20234915159084

Electric conductivity ; Electrons ; Fermi level ; Functional materials ; Layered semiconductors ; Silver ; Sulfur compounds ; Thermoelectricity

Precious Metals:547.1 ; Electricity: Basic Concepts and Phenomena:701.1 ; Semiconducting Materials:712.1 ; Atomic and Molecular Physics:931.3 ; Materials Science:951

MATERIALS SCIENCE

Web of Science

1.Jiangsu Univ, Sch Mat Sci & Engn, Zhenjiang 212013, Peoples R China
2.Northwestern Polytech Univ, State Key Lab Solidificat Proc, Xian 710072, Peoples R China
3.Northwestern Polytech Univ, Key Lab Radiat Detect Mat & Devices, Minist Ind & Informat Technol, Xian 710072, Peoples R China
4.Taiyuan Univ Technol, Sch Mat Sci & Engn, Taiyuan 030024, Peoples R China
5.Northwestern Polytech Univ, Analyt & Testing Ctr, Xian 710072, Peoples R China
6.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China
7.Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China
8.Forschungszentrum Julich, PGI 10 Green IT, D-52428 Julich, Germany
9.Rhein Westfal TH Aachen, Inst Phys IA, D-52056 Aachen, Germany

Yang, Jian,Ye, Haolin,Zhang, Xiangzhao,et al. Dual-Site Doping and Low-Angle Grain Boundaries Lead to High Thermoelectric Performance in N-Type Bi₂S₃[J]. ADVANCED FUNCTIONAL MATERIALS,2023.

Yang, Jian.,Ye, Haolin.,Zhang, Xiangzhao.,Miao, Xin.,Yang, Xiubo.,...&Yu, Yuan.(2023).Dual-Site Doping and Low-Angle Grain Boundaries Lead to High Thermoelectric Performance in N-Type Bi₂S₃.ADVANCED FUNCTIONAL MATERIALS.

Yang, Jian,et al."Dual-Site Doping and Low-Angle Grain Boundaries Lead to High Thermoelectric Performance in N-Type Bi₂S₃".ADVANCED FUNCTIONAL MATERIALS (2023).