Jeff W. Doak
Jeff W. Doak
QuesTek Innovations
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The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
S Kirklin, JE Saal, B Meredig, A Thompson, JW Doak, M Aykol, S Rühl, ...
npj Computational Materials 1 (1), 1-15, 2015
Combinatorial screening for new materials in unconstrained composition space with machine learning
B Meredig, A Agrawal, S Kirklin, JE Saal, JW Doak, A Thompson, K Zhang, ...
Physical Review B 89 (9), 094104, 2014
High thermoelectric performance of p-type SnTe via a synergistic band engineering and nanostructuring approach
G Tan, LD Zhao, F Shi, JW Doak, SH Lo, H Sun, C Wolverton, VP Dravid, ...
Journal of the American Chemical Society 136 (19), 7006-7017, 2014
Origin of the High Performance in GeTe-Based Thermoelectric Materials upon Bi2Te3 Doping
D Wu, LD Zhao, S Hao, Q Jiang, F Zheng, JW Doak, H Wu, H Chi, ...
Journal of the American Chemical Society 136 (32), 11412-11419, 2014
Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe
G Tan, F Shi, JW Doak, H Sun, LD Zhao, P Wang, C Uher, C Wolverton, ...
Energy & Environmental Science 8 (1), 267-277, 2015
High ZT in p-Type (PbTe)1–2x(PbSe)x(PbS)x Thermoelectric Materials
RJ Korkosz, TC Chasapis, S Lo, JW Doak, YJ Kim, CI Wu, E Hatzikraniotis, ...
Journal of the American Chemical Society 136 (8), 3225-3237, 2014
Role of sodium doping in lead chalcogenide thermoelectrics
J He, LD Zhao, JC Zheng, JW Doak, H Wu, HQ Wang, Y Lee, C Wolverton, ...
Journal of the American Chemical Society 135 (12), 4624-4627, 2013
Morphology control of nanostructures: Na-doped PbTe–PbS system
J He, ID Blum, HQ Wang, SN Girard, J Doak, LD Zhao, JC Zheng, ...
Nano letters 12 (11), 5979-5984, 2012
Prediction of seebeck coefficient for compounds without restriction to fixed stoichiometry: A machine learning approach
A Furmanchuk, JE Saal, JW Doak, GB Olson, A Choudhary, A Agrawal
Journal of computational chemistry 39 (4), 191-202, 2018
Effect of particle size distributions on absorbance spectra of gold nanoparticles
J Doak, RK Gupta, K Manivannan, K Ghosh, PK Kahol
Physica E: Low-dimensional Systems and Nanostructures 42 (5), 1605-1609, 2010
Ab initio study of intrinsic point defects in PbTe: an insight into phase stability
S Bajaj, GS Pomrehn, JW Doak, W Gierlotka, H Wu, SW Chen, ...
Acta Materialia 92, 72-80, 2015
Coherent and incoherent phase stabilities of thermoelectric rocksalt IV-VI semiconductor alloys
J Doak, C Wolverton
Physical Review B, 2012
Phosphorus allotropes: Stability of black versus red phosphorus re-examined by means of the van der Waals inclusive density functional method
M Aykol, JW Doak, C Wolverton
Physical Review B 95 (21), 214115, 2017
Determining dilute-limit solvus boundaries in multi-component systems using defect energetics: Na in PbTe and PbS
JW Doak, KJ Michel, C Wolverton
Journal of Materials Chemistry C 3 (40), 10630-10649, 2015
Vibrational contributions to the phase stability of PbS-PbTe alloys
JW Doak, C Wolverton, V Ozoliņš
Physical Review B 92 (17), 174306, 2015
Stability and equation of state of post-aragonite BaCO3
JP Townsend, YY Chang, X Lou, M Merino, SJ Kirklin, JW Doak, A Issa, ...
Physics and Chemistry of Minerals 40, 447-453, 2013
Calculation of dopant solubilities and phase diagrams of X–Pb–Se (X= Br, Na) limited to defects with localized charge
S Bajaj, H Wang, JW Doak, C Wolverton, GJ Snyder
Journal of Materials Chemistry C 4 (9), 1769-1775, 2016
Thermodynamic modeling of the PbX (X= S, Te) phase diagram using a five sub-lattice and two sub-lattice model
MC Peters, JW Doak, WW Zhang, JE Saal, GB Olson, PW Voorhees
Calphad 58, 17-24, 2017
Using first-principles calculations in CALPHAD models to determine carrier concentration of the binary PbSe semiconductor
MC Peters, JW Doak, JE Saal, GB Olson, PW Voorhees
Journal of Electronic Materials 48, 1031-1043, 2019
Computational prediction of nanostructured alloys with enhanced thermoelectric properties
JW Doak, S Hao, S Kirklin, C Wolverton
Physical Review Materials 3 (10), 105404, 2019
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