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dc.contributor.authorLuo, Zhong-Zhenen_US
dc.contributor.authorCai, Songtingen_US
dc.contributor.authorHao, Shiqiangen_US
dc.contributor.authorBailey, Trevor P.en_US
dc.contributor.authorSu, Xianlien_US
dc.contributor.authorSpanopoulos, Ioannisen_US
dc.contributor.authorHadar, Idoen_US
dc.contributor.authorTan, Gangjianen_US
dc.contributor.authorLuo, Yuboen_US
dc.contributor.authorXu, Jianweien_US
dc.contributor.authorUher, Ctiraden_US
dc.contributor.authorWolverton, Christopheren_US
dc.contributor.authorDravid, Vinayak P.en_US
dc.contributor.authorYan, Qingyuen_US
dc.contributor.authorKanatzidis, Mercouri G.en_US
dc.identifier.citationLuo, Z., Cai, S., Hao, S., Bailey, T. P., Su, X., Spanopoulos, I., Hadar, I., Tan, G., Luo, Y., Xu, J., Uher, C., Wolverton, C., Dravid, V. P., Yan, Q. & Kanatzidis, M. G. (2019). High figure of merit in Gallium-doped nanostructured n-type PbTe-xGeTe with midgap states. Journal of the American Chemical Society, 141(40), 16169-16177.
dc.description.abstractPbTe-based thermoelectric materials are some of the most promising for converting heat into electricity, but their n-type versions still lag in performance the p-type ones. Here, we introduce midgap states and nanoscale precipitates using Ga-doping and GeTe-alloying to considerably improve the performance of n-type PbTe. The GeTe alloying significantly enlarges the energy band gap of PbTe and subsequent Ga doping introduces special midgap states that lead to an increased density of states (DOS) effective mass and enhanced Seebeck coefficients. Moreover, the nucleated Ga2Te3 nanoscale precipitates and off-center discordant Ge atoms in the PbTe matrix cause intense phonon scattering strongly reducing the thermal conductivity (~0.65 Wm−1K−1 at 623 K). As a result, a high room-temperature thermoelectric figure of merit ZT ~0.59 and a peak ZTmax of ~1.47 at 673 K were obtained for the Pb0.98Ga0.02Te-5%GeTe. The ZTavg value which is most relevant for devices is ~1.27 from 400-773 K, the highest recorded value for n-type PbTe.en_US
dc.description.sponsorshipAgency for Science, Technology and Research (A*STAR)en_US
dc.description.sponsorshipMinistry of Education (MOE)en_US
dc.relationMOE 2018-T2-1- 010en_US
dc.relationSERC 1527200021en_US
dc.relationSERC 1527200022en_US
dc.relation.ispartofJournal of the American Chemical Societyen_US
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of the American Chemical Society, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see
dc.subjectEngineering::Materials::Functional materialsen_US
dc.titleHigh figure of merit in Gallium-doped nanostructured n-type PbTe-xGeTe with midgap statesen_US
dc.typeJournal Articleen
dc.contributor.schoolSchool of Materials Science and Engineeringen_US
dc.description.versionSubmitted/Accepted versionen_US
dc.subject.keywordsElectrical Conductivityen_US
dc.description.acknowledgementThis work was supported mainly by the Department of Energy, Office of Science Basic Energy Sciences under Grant DESC0014520, DOE Office of Science (sample preparation, synthesis, XRD, TE measurements, TEM measurements, DFT calculations). Z.-Z.L. and Q.Y. gratefully acknowledge the National Natural Science Foundation of China (61728401). This work made use of the EPIC facility of Northwestern University’s NUANCE Center, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF ECCS-1542205), the MRSEC program (NSF DMR-1720139) at the Materials Research Center, the International Institute for Nanotechnology (IIN), the Keck Foundation, and the State of Illinois, through the IIN. User facilities are supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02- 06CH11357 and DE-AC02-05CH11231. Access to facilities of high performance computational resources at the Northwestern University is acknowledged. The authors also acknowledge Singapore MOE AcRF Tier 2 under Grant Nos. 2018-T2-1- 010, Singapore A*STAR Pharos Program SERC 1527200021 and 1527200022, and the support from FACTs of Nanyang Technological University for sample analysis.en_US
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