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Amphoteric Indium Enables Carrier Engineering to Enhance the Power Factor and Thermoelectric Performance in n-Type Ag_nPb_(100)In_nTe_(100+2n) (LIST)

机译:两性铟使载波工程能够在n型AG_NPB_(100)IN_NTE_(100 + 2N)中提高功率因数和热电性能(列表)

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摘要

The Ag and In co-doped PbTe, AgnPb100InnTe100+2n (LIST), exhibits n-type behavior and features unique inherent electronic levels that induce self-tuning carrier density. Results show that In is amphoteric in the LIST, forming both In3+ and In1+ centers. Through unique interplay of valence fluctuations in the In centers and conduction band filling, the electron carrier density can be increased from approximate to 3.1 x 10(18) cm(-3) at 323 K to approximate to 2.4 x 10(19) cm(-3) at 820 K, leading to large power factors peaking at approximate to 16.0 mu Wcm(-1) K-2 at 873 K. The lone pair of electrons from In+ can be thermally continuously promoted into the conduction band forming In3+, consistent with the amphoteric character of In. Moreover, with rising temperature, the Fermi level shifts into the conduction band, which enlarges the optical band gap based on the Moss-Burstein effect, and reduces bipolar diffusion and thermal conductivity. Adding extra Ag in LIST improves the electrical transport properties and meanwhile lowers the lattice thermal conductivity to approximate to 0.40 Wm(-1) K-1. The addition of Ag creates spindle-shaped Ag2Te nanoprecipitates and atomic-scale interstitials that scatter a broader set of phonons. As a result, a maximum ZT value approximate to 1.5 at 873 K is achieved in Ag6Pb100InTe102 (LIST).
机译:AG和在共掺杂PBTE中,AgNPB100Innte100 + 2N(列表),表现出n型行为,并具有诱导自调谐载波密度的独特固有的电子电平。结果表明,在列表中是两性的,形成IN3 +和IN1 +中心。通过在中心和传导带中的价值波动的独特相互作用,电子载体密度可以在323k以323k近似增加到3.1×10(18)厘米(-3),以近似为2.4×10(19)cm( -3)在820 k下,在873k下达到16.0μmWm(-1)k-2的大电源因子达到峰值,+ +孤立的电子可以热连续促进形成In3 +的导电带,一致随着反式的含量。此外,随着温度上升,FERMI水平换档进入导通带,该传导基于苔藓-Curstein效应来扩大光带间隙,并降低双极扩散和导热率。在列表中添加额外AG改善了电气传输属性,同时,晶格导热率降低到近似为0.40Wm(-1)k-1。 Ag的添加产生梭形形状的Ag2Te纳米尺寸和原子级间隙,散射更广泛的声子。结果,在Ag6PB100Inte102(列表)中实现了873 k处的最大ZT值。

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