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Owing to the carrier-phonon coupling, the majority of thermoelectric materials such as BiCuSeO adopt the strategy of sacrificing carrier mobility and thermal properties to improve the electrical performance so as to enhance the value. In response, we innovatively introduce carbon dots (CDs) as a nanophase and efficiently synthesize BiCaPbCuSeO-CDs composites, attenuating the carrier-phonon coupling while realizing the structure optimization on the multiscale. The addition of CDs improves the electrical performance (PF = 883.99 μW m K), and CDs introduce multiscale defects that strongly scatter phonons across multiple frequencies, drastically reducing the lattice thermal conductivity to 0.14 W m K. The BCPCSO-0.15 wt % CDs achieve a record value of 1.82 at 873 K, representing a 61.97% enhancement of the BCPCSO matrix, with an average value reaching 1.11. This research offers an economical, efficient, and scalable approach to improve thermoelectric performance of BiCuSeO, offering a novel pathway for performance optimization of other structurally similar thermoelectric materials.
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http://dx.doi.org/10.1021/acs.nanolett.5c01160 | DOI Listing |
Adv Sci (Weinh)
September 2025
Material Science and Engineering Program (MSE), Physical Sciences and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal, 23955-6900, Kingdom of Saudi Arabia.
In conventional semiconductors, electrical and thermal conductivity are typically coupled, posing a challenge in optimizing both simultaneously. Overcoming this inherent trade-off enables strategies for advancing electronic applications. Herein, a strategy is demonstrated to decouple electrical and thermal conductivity trade-off by creating heterostructures of highly conductive single-walled carbon nanotubes (SWCNTs) coated with low conductivity hybrid perovskites.
View Article and Find Full Text PDFChem Commun (Camb)
July 2025
College of Chemistry and Chemical Engineering, State Key Laboratory of Clean and Efficient Coal Utilization, Taiyuan University of Technology, Taiyuan 030024, China.
The thermoelectric performance of Te-based semiconductors can be boosted by utilizing interfacial chemical-bonding heterogeneity without doping the matrix lattice. The dual p-p type heterointerfaces obtained through introducing metavalently bonded BiTe and covalently bonded B into Te enable obvious carrier-phonon decoupling.
View Article and Find Full Text PDFJ Phys Chem Lett
June 2025
College of Chemistry, Key Laboratory of Theoretical and Computational Photochemistry of Ministry of Education, Beijing Normal University, Beijing 100875, People's Republic of China.
Lead halide perovskites are promising for spintronics due to their strong spin-orbit coupling (SOC). Experiments show asymmetric, temperature-dependent spin relaxation in γ-CsPbI, with electrons relaxing faster than holes via the Elliott-Yafet carrier-phonon mechanism. non-adiabatic molecular dynamics with SOC and half-electron correction reproduce this asymmetry.
View Article and Find Full Text PDFNano Lett
June 2025
School of Mechanical Engineering, Tongling University, Tongling 244000, China.
Owing to the carrier-phonon coupling, the majority of thermoelectric materials such as BiCuSeO adopt the strategy of sacrificing carrier mobility and thermal properties to improve the electrical performance so as to enhance the value. In response, we innovatively introduce carbon dots (CDs) as a nanophase and efficiently synthesize BiCaPbCuSeO-CDs composites, attenuating the carrier-phonon coupling while realizing the structure optimization on the multiscale. The addition of CDs improves the electrical performance (PF = 883.
View Article and Find Full Text PDFProc Natl Acad Sci U S A
May 2025
Department of Chemistry, University of Colorado, Boulder, CO 80309.
Predicting the exact many-body quantum dynamics of polarons in materials with strong carrier-phonon interactions presents a fundamental challenge, often necessitating one to adopt approximations that sacrifice the ability to predict the transition from nonequilibrium relaxation to thermodynamic equilibrium. Here, we exploit a recent breakthrough that generalizes the concept of memory beyond its conventional temporal meaning to also encompass space. Specifically, we leverage our finding that the dynamics of observables in systems with local couplings satisfy Green's functions with kernels that are local in time and space.
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