Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/150567
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dc.contributor.authorLuo, Zhong-Zhenen_US
dc.contributor.authorHao, Shiqiangen_US
dc.contributor.authorCai, Songtingen_US
dc.contributor.authorBailey, Trevor P.en_US
dc.contributor.authorTan, Gangjianen_US
dc.contributor.authorLuo, Yuboen_US
dc.contributor.authorSpanopoulos, Ioannisen_US
dc.contributor.authorUher, Ctiraden_US
dc.contributor.authorWolverton, Chrisen_US
dc.contributor.authorDravid, Vinayak P.en_US
dc.contributor.authorYan, Qingyuen_US
dc.contributor.authorKanatzidis, Mercouri G.en_US
dc.date.accessioned2021-05-31T06:17:07Z-
dc.date.available2021-05-31T06:17:07Z-
dc.date.issued2019-
dc.identifier.citationLuo, Z., Hao, S., Cai, S., Bailey, T. P., Tan, G., Luo, Y., Spanopoulos, I., Uher, C., Wolverton, C., Dravid, V. P., Yan, Q. & Kanatzidis, M. G. (2019). Enhancement of thermoelectric performance for n‑type PbS through synergy of gap state and fermi level pinning. Journal of the American Chemical Society, 141(15), 6403-6412. https://dx.doi.org/10.1021/jacs.9b01889en_US
dc.identifier.issn0002-7863en_US
dc.identifier.urihttps://hdl.handle.net/10356/150567-
dc.description.abstractWe report that Ga-doped and Ga–In-codoped n-type PbS samples show excellent thermoelectric performance in the intermediate temperature range. First-principles electronic structure calculations reveal that Ga doping can cause Fermi level pinning in PbS by introducing a gap state between the conduction and valence bands. Furthermore, Ga–In codoping introduces an extra conduction band. These added electronic features lead to high electron mobilities up to μH ∼ 630 cm2 V–1 s–1 for n of 1.67 × 1019 cm–3 and significantly enhanced Seebeck coefficients in PbS. Consequently, we obtained a maximum power factor of ∼32 μW cm–1 K–2 at 300 K for Pb0.9875Ga0.0125S, which is the highest reported for PbS-based systems giving a room-temperature figure of merit, ZT, of ∼0.35 and ∼0.82 at 923 K. For the codoped Pb0.9865Ga0.0125In0.001S, the maximum ZT rises to ∼1.0 at 923 K and achieves a record-high average ZT (ZTavg) of ∼0.74 in the temperature range of 400–923 K.en_US
dc.description.sponsorshipAgency for Science, Technology and Research (A*STAR)en_US
dc.description.sponsorshipMinistry of Education (MOE)en_US
dc.description.sponsorshipNanyang Technological Universityen_US
dc.language.isoenen_US
dc.relation2018-T2-1en_US
dc.relationSERC 1527200022en_US
dc.relation.ispartofJournal of the American Chemical Societyen_US
dc.rights© 2019 American Chemical Society. All rights reserved.en_US
dc.subjectEngineering::Materialsen_US
dc.titleEnhancement of thermoelectric performance for n‑type PbS through synergy of gap state and fermi level pinningen_US
dc.typeJournal Articleen
dc.contributor.schoolSchool of Materials Science and Engineeringen_US
dc.identifier.doi10.1021/jacs.9b01889-
dc.identifier.pmid30916942-
dc.identifier.scopus2-s2.0-85064558876-
dc.identifier.issue15en_US
dc.identifier.volume141en_US
dc.identifier.spage6403en_US
dc.identifier.epage6412en_US
dc.subject.keywordsP-type PBSen_US
dc.subject.keywordsThermodynamic Propertiesen_US
dc.description.acknowledgementThis work was primarily supported by the Department of Energy, Office of Science Basic Energy Sciences under Grant DE-SC0014520, 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 1527200022, the support from FACTs of Nanyang Technological University for sample analysis.en_US
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