期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 136, 期 4, 页码 1497-1504出版社
AMER CHEMICAL SOC
DOI: 10.1021/ja410605f
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资金
- U.S. DOE Office of Science [DE-AC02-06CH11357]
- National Basic Research Program of China [2012CB619402, 2014CB644003]
- National Natural Science Foundation of China [11204228]
- NSF [DMR-1240933, DMR-1120901]
beta-Zn4Sb3 has one of the highest ZT reported for binary compounds, but its practical applications have been hindered by a reported poor stability. Here we report the fabrication of nearly dense single-phase beta-Zn4Sb3 and a study of its thermoelectric transport coefficients across a wide temperature range. Around 425 K we find an abrupt decrease of its thermal conductivity. Past this point, Zn atoms can migrate from crystalline sites to interstitial positions; beta-Zn4Sb3 becomes metastable and gradually decomposes into Zn(hcp) and ZnSb. However, above 565 K. it recovers its stability; in fact, the damage caused by decomposition can be repaired completely. This is key to its excellent thermoelectric performance at high temperature: the maximum ZT reaches 1.4. Molecular dynamics simulations are used to shed light on the microscopic behavior of the material.
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