Simultaneously improving the mechanical and thermoelectric (TE) properties is significant for the engineering applications of inorganic TE materials. In this work, a novel nanodomain strategy is developed for Ag Te compounds to yield 40% and 200% improved compressive strength (160 MPa) and fracture strain (16%) when compared to domain-free samples (115 MPa and 5.5%, respectively). The domained samples also achieve a 45% improvement in average ZT value. The domain boundaries (DBs) provide extra sites for dislocation nucleation while pinning the dislocation movement, resulting in superior strength and ductility. In addition, phonon scattering induced by DBs suppresses the lattice thermal conductivity of Ag Te and also reduces the weighted mobility. These findings provide new insights into grain and DB engineering for high-performance inorganic semiconductors with robust mechanical properties.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1002/adma.202302969 | DOI Listing |
ACS Appl Mater Interfaces
January 2025
International Advanced Research Centre for Powder Metallurgy and New Materials (ARCI), IIT M Research Park, Chennai 600113, India.
The MgSb-based layered compounds exhibit exceptional thermoelectric properties over a wide temperature range and possess the potential to supplant traditional BiTe modules with reliable and economical MgSb-based thermoelectric devices, contingent upon the availability of a complementary p-type MgSb material with high thermoelectric efficiency comparable to that of n-type MgSb. We provide a simpler method involving the codoping of monovalent atoms (K and Na) at the Mg site of the MgSb lattice to improve the thermoelectric performance of p-type MgSb. K-Na codoping results in a peak power factor of around 0.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Institut de Recherche sur les Céramiques (IRCER), UMR CNRS 7315-Université de Limoges, France.
A semi-automated workflow relying on atomic-scale modelling is introduced to explore and understand the yet-unsolved structure of the crystalline AsTe material, recently obtained from crystallization of the parent AsTe glass, which shows promising properties for thermoelectric applications. The seemingly complex crystal structure of AsTe is investigated with density functional theory, from the stand point of As/Te disorder, in a structural template derived from elemental-Te (Te), following experimental findings from combined X-ray total scattering and diffraction. Our workflow includes a combinatorial structure generation step followed by successive structure selection and relaxation steps with progressively-increasing accuracy levels and a multi-criterion evaluation procedure.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Jiangxi Province Key Laboratory of Organic Functional Molecules, Institute of Organic Chemistry, Jiangxi Science and Technology Normal University, Nanchang 330013, China.
Improving the thermoelectric performance and service stability is essential for the effective use of cuprous selenide (CuSe). In this study, hexagonal boron nitride (h-BN) was incorporated into nano-CuSe, with the goal of enhancing thermoelectric performance and service stability. It was found that CuSe-0.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Mechanical Engineering, Babol Noshirvani University of Technology, Babol, Islamic Republic of Iran.
This study investigates a comprehensive enhancement strategy for photovoltaic (PV) panel efficiency, focusing on increasing electrical output through the integration of parabolic reflectors, advanced cooling mechanisms, and thermoelectric generation. Parabolic reflectors are implemented in the system to maximize solar irradiance on the PV panel's surface, while a specialized cooling system is introduced to regulate temperature distribution across the silicon layer. This cooling system consists of a finned duct filled with paraffin (RT35HC) and enhanced with SWCNT nanoparticles, which improve the thermal properties of the paraffin, facilitating more effective heat dissipation.
View Article and Find Full Text PDFSci Technol Adv Mater
November 2024
Faculty of Materials Science and Engineering, Kyoto Institute of Technology, Kyoto, Japan.
We introduce our proprietary Materials Informatics (MI) technologies and our chemistry-oriented methodology for exploring new inorganic functional materials. Using machine learning on crystal structure databases, we developed 'Element Reactivity Maps' that displays the presence or the predicted formation probability of compounds for combinations of 80 × 80 × 80 elements. By analysing atomic coordinates with Delaunay tetrahedral decomposition, we established the concept of Delaunay Chemistry.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!