Publication: SNO as a potential oxide thermoelectric candidate
dc.contributor.coauthor | Miller, Samuel A. | |
dc.contributor.coauthor | Gorai, Prashun | |
dc.contributor.coauthor | Mason, Thomas O. | |
dc.contributor.coauthor | Stevanovic, Vladan | |
dc.contributor.coauthor | Toberer, Eric S. | |
dc.contributor.coauthor | Snyder, G. Jeffrey | |
dc.contributor.department | Department of Chemistry | |
dc.contributor.kuauthor | Aydemir, Umut | |
dc.contributor.schoolcollegeinstitute | College of Sciences | |
dc.date.accessioned | 2024-11-09T22:58:22Z | |
dc.date.issued | 2017 | |
dc.description.abstract | In 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.indexedby | WOS | |
dc.description.indexedby | Scopus | |
dc.description.issue | 34 | |
dc.description.openaccess | YES | |
dc.description.publisherscope | International | |
dc.description.sponsoredbyTubitakEu | N/A | |
dc.description.sponsorship | National Science Foundation DMR [1334713, 1334351, 1333335] | |
dc.description.sponsorship | Department of Energy's Office of Energy Efficiency and Renewable Energy | |
dc.description.sponsorship | MRSEC of the National Science Foundation at the Materials Research Center of Northwestern University [DMR-1121262] | |
dc.description.sponsorship | Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource [NSF NNCI-1542205] | |
dc.description.sponsorship | Division of Materials Research | |
dc.description.sponsorship | Direct For Mathematical and Physical Scien [1334713, 1334351] Funding Source: National Science Foundation | |
dc.description.sponsorship | Division of Materials Research | |
dc.description.sponsorship | Direct 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.volume | 5 | |
dc.identifier.doi | 10.1039/c7tc01623a | |
dc.identifier.eissn | 2050-7534 | |
dc.identifier.issn | 2050-7526 | |
dc.identifier.scopus | 2-s2.0-85028742566 | |
dc.identifier.uri | https://doi.org/10.1039/c7tc01623a | |
dc.identifier.uri | https://hdl.handle.net/20.500.14288/7707 | |
dc.identifier.wos | 408978600025 | |
dc.keywords | Electrical-properties | |
dc.keywords | Thermal-conductivity | |
dc.keywords | Thin-films | |
dc.keywords | Performance | |
dc.language.iso | eng | |
dc.publisher | Royal Soc Chemistry | |
dc.relation.ispartof | Journal of Materials Chemistry C | |
dc.subject | Materials science, multidisciplinary | |
dc.subject | Physics, applied | |
dc.title | SNO as a potential oxide thermoelectric candidate | |
dc.type | Journal Article | |
dspace.entity.type | Publication | |
local.contributor.kuauthor | Aydemir, Umut | |
local.publication.orgunit1 | College of Sciences | |
local.publication.orgunit2 | Department of Chemistry | |
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