Publication:
SNO as a potential oxide thermoelectric candidate

dc.contributor.coauthorMiller, Samuel A.
dc.contributor.coauthorGorai, Prashun
dc.contributor.coauthorMason, Thomas O.
dc.contributor.coauthorStevanovic, Vladan
dc.contributor.coauthorToberer, Eric S.
dc.contributor.coauthorSnyder, G. Jeffrey
dc.contributor.departmentDepartment of Chemistry
dc.contributor.kuauthorAydemir, Umut
dc.contributor.schoolcollegeinstituteCollege of Sciences
dc.date.accessioned2024-11-09T22:58:22Z
dc.date.issued2017
dc.description.abstractIn the search for new thermoelectric materials, high-throughput calculations using a combination of semiempirical models and first principles density functional theory present a path to screen large numbers of compounds for the most promising candidates. Using this method, we have assessed 735 oxide materials for their thermoelectric performance potential, and identified SnO as an n-type candidate. Computations indicate a dispersive and doubly degenerate conduction band edge as well as lone pair electrons. Lone pair s-orbital semiconductors have demonstrated unusual properties in their electronic structure and thermal properties, making SnO a material of interest for applications including oxide electronics and thermoelectrics. We report thermal conductivity as low as 0.75 W m (1) K (1) at 525 K for bulk, polycrystalline SnO. The Hall effect and Seebeck coefficient were measured and a high p-type mobility of 30 cm(2) V-1 s(-1) at room temperature for a polycrystalline sample is reported. The stability is computationally assessed, offering insight into the challenges associated with achieving n-type behavior.
dc.description.indexedbyWOS
dc.description.indexedbyScopus
dc.description.issue34
dc.description.openaccessYES
dc.description.publisherscopeInternational
dc.description.sponsoredbyTubitakEuN/A
dc.description.sponsorshipNational Science Foundation DMR [1334713, 1334351, 1333335]
dc.description.sponsorshipDepartment of Energy's Office of Energy Efficiency and Renewable Energy
dc.description.sponsorshipMRSEC of the National Science Foundation at the Materials Research Center of Northwestern University [DMR-1121262]
dc.description.sponsorshipSoft and Hybrid Nanotechnology Experimental (SHyNE) Resource [NSF NNCI-1542205]
dc.description.sponsorshipDivision of Materials Research
dc.description.sponsorshipDirect For Mathematical and Physical Scien [1334713, 1334351] Funding Source: National Science Foundation
dc.description.sponsorshipDivision of Materials Research
dc.description.sponsorshipDirect For Mathematical and Physical Scien [1333335] Funding Source: National Science Foundation We acknowledge support from National Science Foundation DMR program, grant no. 1334713, 1334351, and 1333335. The research was performed using computational resources sponsored by the Department of Energy's Office of Energy Efficiency and Renewable Energy and located at the NREL. This work made use of the J. B. Cohen X-Ray Diffraction Facility supported by the MRSEC program of the National Science Foundation (DMR-1121262) at the Materials Research Center of Northwestern University and the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI-1542205.)
dc.description.volume5
dc.identifier.doi10.1039/c7tc01623a
dc.identifier.eissn2050-7534
dc.identifier.issn2050-7526
dc.identifier.scopus2-s2.0-85028742566
dc.identifier.urihttps://doi.org/10.1039/c7tc01623a
dc.identifier.urihttps://hdl.handle.net/20.500.14288/7707
dc.identifier.wos408978600025
dc.keywordsElectrical-properties
dc.keywordsThermal-conductivity
dc.keywordsThin-films
dc.keywordsPerformance
dc.language.isoeng
dc.publisherRoyal Soc Chemistry
dc.relation.ispartofJournal of Materials Chemistry C
dc.subjectMaterials science, multidisciplinary
dc.subjectPhysics, applied
dc.titleSNO as a potential oxide thermoelectric candidate
dc.typeJournal Article
dspace.entity.typePublication
local.contributor.kuauthorAydemir, Umut
local.publication.orgunit1College of Sciences
local.publication.orgunit2Department of Chemistry
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