Isovalent doping offers a method to enhance the thermoelectric properties of semiconductors, yet its influence on the phonon structure and propagation is often overlooked. Here, we take CdX (X=Te, Se) compounds as an example to study the role of isovalent doping in thermoelectrics by first-principles calculations in combination with the Boltzmann transport theory. The electronic and phononic properties of Cd8Se8, Cd8Se7Te, Cd8Te8, and Cd8Te7Se are compared. The results suggest that isovalent doping with CdX significantly improves the thermoelectric performance. Due to the similar properties of Se and Te atoms, the electronic properties remain unaffected. Moreover, doping enhances anharmonic phonon scattering, leading to a reduction in lattice thermal conductivity. Our results show that optimized p-type(n-type) ZT values can reach 3.13 (1.33) and 2.51 (1.21) for Cd8Te7Se and Cd8Se7Te at 900 K, respectively. This research illuminates the potential benefits of strategically employing isovalent doping to enhance the thermoelectric properties of CdX compounds.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11051371 | PMC |
| http://dx.doi.org/10.3390/ma17081797 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Zero-Strain Metal-Insulator Transition by the Local Fluctuation of Cation Dimerization.
Adv Mater
November 2024
Department of Materials Science and Engineering, Seoul National University, Seoul, 08826, Republic of Korea.
Article Synopsis
- * Iso-valent titanium (Ti) dopants in supercooled vanadium oxide (VO) films enable MIT with minimal hysteresis and without altering the material's overall structure.
- * The formation of local vanadium (V) dimers leads to a stable interface between insulating and metallic phases, significantly improving electronic switching speeds and device endurance.
Emerging new phases in correlated Mott insulator CaRuO.
J Phys Condens Matter
November 2024
CNR-SPIN, c/o Universitá degli Studi di Salerno, Via Giovanni Paolo II, 132, 84084 Fisciano (SA), Italy.
Article Synopsis
Sn Alloying and Chiral Incorporation into Tellurium Halides Triggering Tunable Luminescence Emission and Second-Harmonic Generation.
Inorg Chem
September 2024
School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, Jiangsu 225002, P. R. China.
Recently, chiral organic-inorganic hybrid metal halides have attracted considerable interest as promising multifunctional materials, benefiting from their diverse structures and tunable photophysical properties. Herein, by introducing the chiral ligand methylbenzylamine (-/-MBA) and alloying Sn cation, a series of tellurium-based halides -/ ( = 0, 0.125, 0.
View Article and Find Full Text PDFSize-Dependent Isovalent Impurity Doping for Ambipolar Control in CuN.
J Am Chem Soc
September 2024
MDX Research Center for Element Strategy, International Research Frontiers Initiative, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama 226-8501, Japan.
Article Synopsis
- * An alternative method proposed involves using isovalent alkali metal impurities in Cu(I)-based semiconductors, where smaller impurities like Li enhance n-type conductivity, while larger ones like Cs and Rb improve p-type conductivity.
- * This approach, relying on the size of the impurities, leads to better control of electron and hole concentrations, potentially benefiting the development of advanced optoelectronic devices.
Enhancing the Mn Redox Kinetics of LiMnFePO Cathodes Through a Synergistic Co-Doping with Niobium and Magnesium for Lithium-Ion Batteries.
Small
November 2024
Materials Science and Engineering Program and Texas Materials Institute, The University of Texas at Austin, Austin, TX, 78712, USA.
The concerns on the cost of lithium-ion batteries have created enormous interest on LiFePO (LFP) and LiMnFePO (LMFP) cathodes However, the inclusion of Mn into the olivine structure causes a non-uniform atomic distribution of Fe and Mn, resulting in a lowering of reversible capacity and hindering their practical application. Herein, a co-doping of LMFP with Nb and Mg is presented through a co-precipitation reaction, followed by a spray-drying process and calcination. It is found that LiNbO formed with the aliovalent Nb doping resides mainly on the surface, while the isovalent Mg doping occurs into the bulk of the particle.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!