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Native Defect Engineering in CuInTe2
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DOI：10.1021/acs.chemmater.0c04041.png)
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摘要
En 中文
Ternary diamond-like semiconductors, such as CuInTe2, are known to exhibit promising p-type thermoelectric performance. However, the interplay between growth conditions, native defects, and thermoelectric properties have limited their realization. First-principles calculations of CuInTe2 indicate that the electronic properties are controlled by three dominant defects: V-Cu, Cu-In, and In-Cu. The combination of these low-energy defects with significant elemental chemical potential phase space for CuInTe2 yields a broad phase width. To validate these calculations, polycrystalline, bulk samples were prepared and characterized for their structural and thermoelectric properties as a function of stoichiometry. Collectively, the off-stoichiometric samples show a range of carrier concentrations that span 5 orders of magnitude (10(15 )to 10(19 )h(+) cm(-3 )). Mobility of the off-stoichiometric samples suggests that copper vacancies act as strongly scattering pointdefect sites, while the other native defects scatter less strongly. Such vacancy scattering extends to the thermal conductivity where a reduction in kappa(L) is observed and contributes to enhanced thermoelectric performance. Understanding and controlling the native defects in CuInTe2 provides a route toward n-type dopability as well as rational optimization of the p-type material.
Keyword:
THERMOELECTRIC PROPERTIES
ELECTRICAL-PROPERTIES
P-TYPE
N-TYPE
THERMAL-CONDUCTIVITY
SOLAR-CELLS
CHALCOPYRITE
PERFORMANCE
EFFICIENCY
CUGATE2
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期刊
IF:
7
论文数:
2.8W
被引数:
12.6W
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引用论文
Large enhancement of thermoelectric performance of CuInTe2 via a synergistic strategy of point defects and microstructure engineering通过点缺陷和微结构工程的协同策略大幅提高CuInTe2的热电性能.png)
NANO ENERGY
NANO ENERGYIF17.1
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