J
Jeff W. Doak
Researcher at Northwestern University
Publications - 22
Citations - 3730
Jeff W. Doak is an academic researcher from Northwestern University. The author has contributed to research in topics: Thermoelectric materials & Thermoelectric effect. The author has an hindex of 16, co-authored 22 publications receiving 2707 citations. Previous affiliations of Jeff W. Doak include Missouri State University.
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The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
Scott Kirklin,James E. Saal,Bryce Meredig,Alexander Thompson,Jeff W. Doak,Muratahan Aykol,Stephan Ruhl,Chris Wolverton +7 more
TL;DR: The Open Quantum Materials Database (OQMD) as discussed by the authors is a high-throughput database consisting of nearly 300,000 density functional theory (DFT) total energy calculations of compounds from the Inorganic Crystal Structure Database (ICSD).
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Combinatorial screening for new materials in unconstrained composition space with machine learning
Bryce Meredig,Amit Agrawal,Scott Kirklin,James E. Saal,Jeff W. Doak,Alan J Thompson,Kunpeng Zhang,Alok Choudhary,Chris Wolverton +8 more
TL;DR: A machine learning model is constructed from a database of thousands of density functional theory calculations that can predict the thermodynamic stability of arbitrary compositions without any other input and with six orders of magnitude less computer time than DFT.
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High Thermoelectric Performance of p-Type SnTe via a Synergistic Band Engineering and Nanostructuring Approach
Gangjian Tan,Li-Dong Zhao,Fengyuan Shi,Jeff W. Doak,Shih Han Lo,Hui Sun,Chris Wolverton,Vinayak P. Dravid,Ctirad Uher,Mercouri G. Kanatzidis +9 more
TL;DR: It is shown that Sn self-compensation can effectively reduce the Sn vacancies and decrease the hole carrier density, and alloying with Cd atoms enables a form of valence band engineering that improves the high-temperature thermoelectric performance.
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Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe
Gangjian Tan,Fengyuan Shi,Jeff W. Doak,Hui Sun,Li-Dong Zhao,Pengli Wang,Ctirad Uher,Chris Wolverton,Vinayak P. Dravid,Mercouri G. Kanatzidis,Mercouri G. Kanatzidis +10 more
TL;DR: In this article, several synergistic effects in Hg alloying of SnTe to enhance the power factor and overall figure of merit ZT were reported, leading to high ZT of ∼1.35 at 910 K for 2% Bi-doped SnTe with 3% HgTe.
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Origin of the high performance in GeTe-based thermoelectric materials upon Bi2Te3 doping.
Di Wu,Li-Dong Zhao,Shiqiang Hao,Qike Jiang,Fengshan Zheng,Jeff W. Doak,Haijun Wu,Hang Chi,Yaniv Gelbstein,Ctirad Uher,Chris Wolverton,Mercouri G. Kanatzidis,Jiaqing He +12 more
TL;DR: It is shown that a remarkably high ZT of ∼1.9 can be achieved at 773 K in Ge0.87Pb0.13Te upon the introduction of 3 mol % Bi2Te3.