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Gang Chen and Boris Kozinsky. Li, An, M. Eng. Massachusetts Institute of Technology Massachusetts Institute of Technology. Dept. of Electrical Engineering and Computer Science. Massachusetts Institute of Technology. Department of Electrical Engineering and Computer Science 2013-02-14T19:16:16Z 2013-02-14T19:16:16Z 2011 2011 http://hdl.handle.net/1721.1/77074 825552880 Thesis (M. Eng.)--Massachusetts Institute of Technology, Dept. of Electrical Engineering and Computer Science, 2011. Cataloged from PDF version of thesis. Includes bibliographical references (p. 66-70). As the demand of sustainable energy technologies increases in recent years, thermoelectric materials can potentially become a solution by increasing energy efficiency in certain systems, such as waste heat recovery system. Skutterudites is a popular group of thermoelectric materials because they show low thermal conductivity with filled voids in their structures. To investigate the potential of ternary skutterudites as thermoelectric materials, first-principles calculations are performed on filled and unfilled CoSn1.S1.S5, CoSn1.5Se1.5, CoSn1.5Te1.5, CoGe1.5S1.5, CoGe1.5Se1.5, and CoGe1.5Te1.5. Alkaline-earth metal and Lanthanum are used as void fillers in this study. Transport properties, including Seebeck coefficient and electrical conductivity, are obtained from Boltzmann transport theory. The calculation results show high Seebeck coefficients and low electrical conductivities. Future work will focus on increasing the electrical conductivity while reducing the thermal conductivity with appropriate filling. by An Li.. M.Eng. 70 p. eng Massachusetts Institute of Technology M.I.T. theses are protected by copyright. They may be viewed from this source for any purpose, but reproduction or distribution in any format is prohibited without written permission. See provided URL for inquiries about permission. http://dspace.mit.edu/handle/1721.1/7582 Electrical Engineering and Computer Science. First principles study of ternary skutterudites Thesis application/pdf Publication unknown unknown <Publication xmlns="https://www.openaire.eu/cerif-profile/1.1/" id="fa057e73-2a59-424a-ba16-af0042649f41"> <Type xmlns="https://www.openaire.eu/cerif-profile/vocab/COAR_Publication_Types">http://purl.org/coar/resource_type/c_1843</Type> <Language>eng</Language> <Title>First principles study of ternary skutterudites</Title> <PublishedIn> <Publication> </Publication> </PublishedIn> <PublicationDate>2011</PublicationDate> <Authors> <Author> <DisplayName>Li, An, M. Eng. Massachusetts Institute of Technology</DisplayName> <Affiliation> <OrgUnit> </OrgUnit> </Affiliation> </Author> </Authors> <Editors> </Editors> <Publishers> <Publisher> <DisplayName>Massachusetts Institute of Technology</DisplayName> <OrgUnit /> </Publisher> </Publishers> <License>http://dspace.mit.edu/handle/1721.1/7582</License> <Keyword>Electrical Engineering and Computer Science.</Keyword> <Abstract>As the demand of sustainable energy technologies increases in recent years, thermoelectric materials can potentially become a solution by increasing energy efficiency in certain systems, such as waste heat recovery system. Skutterudites is a popular group of thermoelectric materials because they show low thermal conductivity with filled voids in their structures. To investigate the potential of ternary skutterudites as thermoelectric materials, first-principles calculations are performed on filled and unfilled CoSn1.S1.S5, CoSn1.5Se1.5, CoSn1.5Te1.5, CoGe1.5S1.5, CoGe1.5Se1.5, and CoGe1.5Te1.5. Alkaline-earth metal and Lanthanum are used as void fillers in this study. Transport properties, including Seebeck coefficient and electrical conductivity, are obtained from Boltzmann transport theory. The calculation results show high Seebeck coefficients and low electrical conductivities. Future work will focus on increasing the electrical conductivity while reducing the thermal conductivity with appropriate filling.</Abstract> <Access xmlns="http://purl.org/coar/access_right" > </Access> </Publication>