DataVXAdvanced Functional MaterialsPaper
journal article·2024-03Open access

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

Jian Yang, Haolin Ye, Xiangzhao Zhang, Xin Miao, Xiubo Yang, Lin Xie, Zhongqi Shi, Shaoping Chen, Chongjian Zhou, Guanjun Qiao, Matthias Wuttig, Li Wang, Guiwu Liu, Yuan Yu

Advanced Functional Materials· Volume 34· Issue 11
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Abstract

Abstract 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 ≈0.9 at 676 K is achieved in the Bi2Ag0.01S3‐0.5%BiCl3 sample.
Source: crossref · Quality: baseline

Research context

OpenAlex topics: Advanced Thermoelectric Materials and Devices · Chalcogenide Semiconductor Thin Films · Topological Materials and Phenomena

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

School of Materials Science and Engineering Jiangsu University Zhenjiang 212013 China

State Key Laboratory of Solidification Processing and Key Laboratory of Radiation Detection Materials and Devices Ministry of Industry and Information Technology Northwestern Polytechnical University Xi'an 710072 China

School of Materials Science and Engineering Taiyuan University of Technology Taiyuan 030024 China

Analytical & Testing Center Northwestern Polytechnical University Xi'an 710072 China

Department of Physics Southern University of Science and Technology Shenzhen 518055 China

State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University Xi'an 710049 China

PGI 10 (Green IT) Forschungszentrum Jülich GmbH 52428 Jülich Germany

Institute of Physics (IA) RWTH Aachen University 52056 Aachen Germany

Funding

National Natural Science Foundation of China · Natural Science Foundation of Jiangsu Province · Fundamental Research Funds for the Central Universities · Deutsche Forschungsgemeinschaft · High Level Innovation and Entrepreneurial Research Team Program in Jiangsu · Qinglan Project of Jiangsu Province of China

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