Enhancing the Thermoelectric and Mechanical Properties of p-Type PbS through Band Convergence and Microstructure Regulation
Li, Mengyao (Zhengzhou University. Laboratory of Zhongyuan Light)
Zhao, Xueke (Zhengzhou University. Laboratory of Zhongyuan Light)
Wang, Dongyang (Zhengzhou University. Laboratory of Zhongyuan Light)
Han, Xu (Institut Català de Nanociència i Nanotecnologia)
Yang, Dawei (Henan University. Henan Province Key Laboratory of Photovoltaic Materials)
Wu, Benteng (Zhengzhou University. Laboratory of Zhongyuan Light)
Song, Hongzhang (Zhengzhou University. Laboratory of Zhongyuan Light)
Jia, Mochen (Zhengzhou University. Laboratory of Zhongyuan Light)
Liu, Yu (Hefei University of Technology. Anhui Province Engineering Research Center of Flexible and Intelligent Materials)
Arbiol i Cobos, Jordi (Institut Català de Nanociència i Nanotecnologia)
Cabot i Codina, Andreu (Institució Catalana de Recerca i Estudis Avançats)

Data:	2024
Resum:	While lead sulfide shows notable thermoelectric properties, its production costs remain high, and its mechanical hardness is low, which constrains its commercial viability. Herein, we demonstrate a straightforward and cost-effective method to produce PbS nanocrystals at ambient temperature. By introducing controlled amounts of silver, we achieve p-type conductivity and fine-tune the energy band structure and lattice configuration. Computational results show that silver shifts the Fermi level into the valence band, facilitating band convergence and thereby enhancing the power factor. Besides, excess silver is present as silver sulfide, which effectively diminishes the interface barrier and enhances the Seebeck coefficient. Defects caused by doping, along with dislocations and interfaces, reduce thermal conductivity to 0. 49 W m-1 K-1 at 690 K. Moreover, the alterations in crystal structure and chemical composition enhance the PbS mechanical properties. Overall, optimized materials show thermoelectric figures of merit approximately 10-fold higher than that of pristine PbS, alongside an average hardness of 1. 08 GPa.
Ajuts:	Agència de Gestió d'Ajuts Universitaris i de Recerca 2021/SGR-00457 Agència de Gestió d'Ajuts Universitaris i de Recerca 2021/SGR-01581 Agencia Estatal de Investigación ENE2016-77798-C4-3-R Agencia Estatal de Investigación PID2020-116093RB-C43
Drets:	Aquest material està protegit per drets d'autor i/o drets afins. Podeu utilitzar aquest material en funció del que permet la legislació de drets d'autor i drets afins d'aplicació al vostre cas. Per a d'altres usos heu d'obtenir permís del(s) titular(s) de drets.
Llengua:	Anglès
Document:	Article ; recerca ; Versió acceptada per publicar
Matèria:	Lead sulfide ; Energy band regulation ; Structural engineering ; Lattice thermal conductivity ; Mechanical hardness
Publicat a:	Nano letters, Vol. 24, Issue 26 (July 2024) , p. 8126-8133, ISSN 1530-6992

DOI: 10.1021/acs.nanolett.4c02058

Postprint 22 p, 2.0 MB

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