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Transition metals are widely used as dopants for developing high\u2010performance GeTe thermoelectric materials. Herein, relevant work is critically reviewed to establish a correlation among transition metal doping, electronic quality factor, and figure\u2010of\u2010merit of GeTe. From first\u2010principle calculations, it is found that Ta, as an undiscovered dopant in GeTe, can effectively converge energy offset between light and heavy conduction band extrema to enhance effective mass at high temperature. Such manipulation is verified by the increased Seebeck coefficient of synthesized Ge<jats:sub>1\u2212<\/jats:sub><jats:italic><jats:sub>x<\/jats:sub><\/jats:italic><jats:sub>\u2212<\/jats:sub><jats:italic><jats:sub>y<\/jats:sub><\/jats:italic>Ta<jats:italic><jats:sub>x<\/jats:sub><\/jats:italic>Sb<jats:italic><jats:sub>y<\/jats:sub><\/jats:italic>Te samples from 160 to 180 \u00b5V K<jats:sup>\u22121<\/jats:sup> at 775 K upon doping Ta, then to 220 \u00b5V K<jats:sup>\u22121<\/jats:sup> with further alloying Sb. Characterization using electron microscopy also reveals the unique herringbone structure associated with multi\u2010scale lattice defects induced by Ta doping, which greatly hinder phonon propagation to decrease thermal conductivity. As a result, a figure\u2010of\u2010merit of \u22482.0 is attained in the Ge<jats:sub>0.88<\/jats:sub>Ta<jats:sub>0.02<\/jats:sub>Sb<jats:sub>0.10<\/jats:sub>Te sample, reflecting a maximum heat\u2010to\u2010electricity efficiency up to 17.7% under a temperature gradient of 400 K. The rationalized beneficial effects stemming from Ta doping is an important observation that will stimulate new exploration toward high\u2010performance GeTe\u2010based thermoelectric materials.<\/jats:p>","DOI":"10.1002\/adma.202102575","type":"journal-article","created":{"date-parts":[[2021,8,16]],"date-time":"2021-08-16T07:26:27Z","timestamp":1629098787000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":73,"title":["Optimizing Electronic Quality Factor toward High\u2010Performance Ge<sub>1\u2212<\/sub><i><sub>x<\/sub><\/i><sub>\u2212<\/sub><i><sub>y<\/sub><\/i>Ta<i><sub>x<\/sub><\/i>Sb<i><sub>y<\/sub><\/i>Te Thermoelectrics: The Role of Transition Metal Doping"],"prefix":"10.1002","volume":"33","author":[{"given":"Meng","family":"Li","sequence":"first","affiliation":[{"name":"School of Mechanical and Mining Engineering The University of Queensland  Brisbane Queensland 4072 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