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
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
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
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
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
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
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
Vibrational contributions to the phase stability of PbS-PbTe alloys
JW Doak, C Wolverton, V Ozoliņš
Physical Review B 92 (17), 174306, 2015
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
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
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 (5), 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 (2), 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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