{"id":{"repo_id":"mit","oai_identifier":"oai:dspace.mit.edu:1721.1/77074"},"canonical_url":"https://search.dev.ndltd.org/etd/mit/oai:dspace.mit.edu:1721.1/77074","repository":{"repo_id":"mit","name":"MIT","base_url":"https://dspace.mit.edu/oai/request"},"display":{"title":"First principles study of ternary skutterudites","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_html":"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_has_math":false,"creators":["Li, An, M. Eng. Massachusetts Institute of Technology"],"institution":"Massachusetts Institute of Technology","degree_name":null,"degree_level":null,"degree_discipline":null,"degree_department":"Massachusetts Institute of Technology. Dept. of Electrical Engineering and Computer Science.","school":null,"contributors":[],"advisors":["Gang Chen and Boris Kozinsky."],"committee_chairs":[],"committee_members":[],"year":2011,"date_issued":"2011","date_published":"2011","updated_at":"2026-07-22T22:22:30Z","subjects":["Electrical Engineering and Computer Science."],"languages":["eng"],"rights":["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."],"rights_urls":["http://dspace.mit.edu/handle/1721.1/7582"],"identifier_entries":[]},"links":{"outbound_url":"http://hdl.handle.net/1721.1/77074","outbound_label":"Handle","outbound_source":"dc:identifier.uri"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor.advisor","label":"Advisor","values":["Gang Chen and Boris Kozinsky."]},{"key":"dc:contributor.department","label":"Department","values":["Massachusetts Institute of Technology. Dept. of Electrical Engineering and Computer Science."]},{"key":"dc:contributor.other","label":"Dc Contributor Other","values":["Massachusetts Institute of Technology. Dept. of Electrical Engineering and Computer Science."]},{"key":"dc:creator","label":"Author","values":["Li, An, M. Eng. Massachusetts Institute of Technology"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.accessioned","label":"Dc Date Accessioned","values":["2013-02-14T19:16:16Z"]},{"key":"dc:date.available","label":"Dc Date Available","values":["2013-02-14T19:16:16Z"]},{"key":"dc:date.issued","label":"Date","values":["2011"]},{"key":"dc:publisher","label":"Institution","values":["Massachusetts Institute of Technology"]},{"key":"dc:type","label":"Dc Type","values":["Thesis"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Electrical Engineering and Computer Science."]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language.iso","label":"Language (ISO)","values":["eng"]},{"key":"dc:rights","label":"Dc Rights","values":["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."]},{"key":"dc:rights.uri","label":"Rights URI","values":["http://dspace.mit.edu/handle/1721.1/7582"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier.uri","label":"Identifier URI","values":["http://hdl.handle.net/1721.1/77074"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["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)."]},{"key":"dc:description.abstract","label":"Abstract","values":["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."]},{"key":"dc:description.degree","label":"Dc Description Degree","values":["M.Eng."]},{"key":"dc:title","label":"Title","values":["First principles study of ternary skutterudites"]}]}],"canonical_facts":{"dc:contributor.advisor":["Gang Chen and Boris Kozinsky."],"dc:contributor.department":["Massachusetts Institute of Technology. Dept. of Electrical Engineering and Computer Science."],"dc:contributor.other":["Massachusetts Institute of Technology. Dept. of Electrical Engineering and Computer Science."],"dc:creator":["Li, An, M. Eng. Massachusetts Institute of Technology"],"dc:date.accessioned":["2013-02-14T19:16:16Z"],"dc:date.available":["2013-02-14T19:16:16Z"],"dc:date.issued":["2011"],"dc:description":["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)."],"dc:description.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."],"dc:description.degree":["M.Eng."],"dc:identifier.uri":["http://hdl.handle.net/1721.1/77074"],"dc:language.iso":["eng"],"dc:publisher":["Massachusetts Institute of Technology"],"dc:rights":["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."],"dc:rights.uri":["http://dspace.mit.edu/handle/1721.1/7582"],"dc:subject":["Electrical Engineering and Computer Science."],"dc:title":["First principles study of ternary skutterudites"],"dc:type":["Thesis"]},"updated_at":"2026-07-22T22:22:30Z"}