研究目的
To improve the thermoelectric performance of GeTe-based alloys by suppressing the high carrier concentration and reducing thermal conductivity through Cu/Sb codoping.
研究成果
Cu/Sb codoping in GeTe effectively suppresses carrier concentration and reduces thermal conductivity, leading to a high zT value of ~1.62 at 773 K in Ge0.85Te(CuSb)0.075. The synergistic effects include optimized power factor and ultralow lattice thermal conductivity due to multiscale phonon scattering. This research provides a foundation for developing Pb-free thermoelectric materials with improved efficiency.
研究不足
The study is limited to specific doping concentrations (x = 0.025 to 0.10) and temperature ranges (300-773 K). The electrical fundamentals of Cu/Sb in reducing carrier concentration are not fully clear and require further investigation. Potential optimizations include exploring other dopants or higher doping levels to enhance performance.
1:Experimental Design and Method Selection:
A series of codoped Ge1?2xTe(CuSb)x (x = 0.025, 0.05, 0.075, 0.10) compounds were prepared through traditional solid reaction. The synergistic effect of Cu/Sb codoping on GeTe was investigated, focusing on tuning carrier concentration and reducing thermal conductivity. Theoretical models included density functional theory (DFT) for electronic structure analysis and the Debye-Callaway model for phonon transport.
2:025, 05, 075, 10) compounds were prepared through traditional solid reaction. The synergistic effect of Cu/Sb codoping on GeTe was investigated, focusing on tuning carrier concentration and reducing thermal conductivity. Theoretical models included density functional theory (DFT) for electronic structure analysis and the Debye-Callaway model for phonon transport. Sample Selection and Data Sources:
2. Sample Selection and Data Sources: Samples were synthesized from high-purity constituent elements (Ge, Te, Cu, Sb) in evacuated quartz tubes. Data on electrical and thermal properties were collected from synthesized pellets.
3:List of Experimental Equipment and Materials:
Equipment included spark plasma sintering (SPS, SPS-211Lx, Fuji Electronic Industrial Co., Ltd.), X-ray diffractometer (Bruker D8), SEM (Hitachi SU-8010), TEM (FEI Tecnai G2 F20), Namicto-III S/electric resistance measuring system (Namicro-3L, Wuhan Joule Yacht Science & Technology Co., Ltd.), laser flash diffusivity apparatus, DSC STA 409PC Netzsch, and Ecopia HMS-3000 Hall measurement system. Materials included Ge (99.99%), Te (99.999%), Cu (99.99%), and Sb (99.99%).
4:99%), Te (999%), Cu (99%), and Sb (99%). Experimental Procedures and Operational Workflow:
4. Experimental Procedures and Operational Workflow: The mixture was heated at 723 K for 12 h and 1273 K for 6 h, quenched in water, annealed for 3 days, ground to powder, and compacted by SPS at 773 K for 5 min. Phase structure was analyzed by XRD, microstructure by SEM and TEM, electrical properties (σ and S) measured from 323-773 K in He atmosphere, thermal diffusivity by laser flash, specific heat by DSC, density by Archimedes principle, and Hall coefficient at room temperature.
5:Data Analysis Methods:
Data analysis included Rietveld refinement for lattice parameters, DFT calculations for DOS and defect formation energy, and Debye-Callaway model for phonon scattering mechanisms. Statistical techniques involved calculating power factor, thermal conductivity, and zT values.
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X-ray Diffractometer
D8
Bruker
Used for phase structure analysis of the samples.
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Scanning Electron Microscope
SU-8010
Hitachi
Used for microscopic morphology measurement of the samples.
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Transmission Electron Microscope
Tecnai G2 F20
FEI
Used for high-resolution imaging and analysis of microstructure.
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Spark Plasma Sintering
SPS-211Lx
Fuji Electronic Industrial Co., Ltd.
Used for compacting powder into dense pellets during sample preparation.
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Electric Resistance Measuring System
Namicro-3L
Wuhan Joule Yacht Science & Technology Co., Ltd.
Used for measuring electrical conductivity and Seebeck coefficient.
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DSC
STA 409PC
Netzsch
Used for measuring specific heat capacity.
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Hall Measurement System
HMS-3000
Ecopia
Used for measuring Hall coefficient and carrier concentration.
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