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Year
Predicting energy and stability of known and hypothetical crystals using graph neural network
S Pandey, J Qu, V Stevanović, PS John, P Gorai
Patterns 2 (11), 2021
31*2021
Carrier density control in Cu 2 HgGeTe 4 and discovery of Hg 2 GeTe 4 via phase boundary mapping
BR Ortiz, K Gordiz, LC Gomes, T Braden, JM Adamczyk, J Qu, E Ertekin, ...
Journal of materials chemistry A 7 (2), 621-631, 2019
312019
Defect chemistry and doping of BiCuSeO
MY Toriyama, J Qu, GJ Snyder, P Gorai
Journal of Materials Chemistry A 9 (36), 20685-20694, 2021
302021
Native Defect Engineering in CuInTe2
JM Adamczyk, LC Gomes, J Qu, GA Rome, SM Baumann, E Ertekin, ...
Chemistry of Materials 33 (1), 359-369, 2020
272020
New n-Type Zintl Phases for Thermoelectrics: Discovery, Structural Characterization, and Band Engineering of the Compounds A2CdP2 (A= Sr, Ba, Eu)
A Balvanz*, J Qu*, S Baranets, E Ertekin, P Gorai, S Bobev
Chemistry of Materials 32 (24), 10697-10707, 2020
222020
Doping by design: finding new n-type dopable abx 4 zintl phases for thermoelectrics
J Qu, V Stevanović, E Ertekin, P Gorai
Journal of Materials Chemistry A 8 (47), 25306-25315, 2020
222020
Structure-dependent mechanical properties of extended beta-graphyne
J Qu, H Zhang, J Li, S Zhao, T Chang
Carbon 120, 350-357, 2017
222017
Computational design of thermoelectric alloys through optimization of transport and dopability
J Qu, A Balvanz, S Baranets, S Bobev, P Gorai
Materials Horizons 9 (2), 720-730, 2022
162022
Leveraging language representation for material recommendation, ranking, and exploration
J Qu, YR Xie, KM Ciesielski, CE Porter, ES Toberer, E Ertekin
arXiv preprint arXiv:2305.01101, 2023
7*2023
Controlling thermoelectric transport via native defects in the diamond-like semiconductors Cu 2 HgGeTe 4 and Hg 2 GeTe 4
J Qu, CE Porter, LC Gomes, JM Adamczyk, MY Toriyama, BR Ortiz, ...
Journal of Materials Chemistry A 9 (46), 26189-26201, 2021
72021
Interlayer attraction force in concentric carbon nanotubes
H Zhou, J Leng, Z Guo, J Li, Z Huo, J Qu, T Chang
Journal of Applied Mechanics 86 (9), 091003, 2019
52019
Intrinsic properties and dopability effects on the thermoelectric performance of binary Sn chalcogenides from first principles
FA Bipasha, LC Gomes, J Qu, E Ertekin
Frontiers in Electronic Materials, 25, 2023
32023
Coordination flexibility as a high-throughput descriptor for identifying solid electrolytes with Li+ sublattice disorder: A computational and experimental study
YY Lin, J Qu, WJ Gustafson, PC Kung, N Shah, S Shrivastav, E Ertekin, ...
Journal of Power Sources 553, 232251, 2023
32023
VTAnDeM: A python toolkit for simultaneously visualizing phase stability, defect energetics, and carrier concentrations of materials
MY Toriyama, J Qu, LC Gomes, E Ertekin
Computer Physics Communications 287, 108691, 2023
22023
Leveraging language representation for materials exploration and discovery
J Qu, YR Xie, KM Ciesielski, CE Porter, ES Toberer, E Ertekin
npj Computational Materials 10 (1), 58, 2024
12024
Defect Chemistry and Dopability of Telluride Diamond-Like Semiconductors and Ordered Vacancy Compounds for Thermoelectric Applications
L Gomes, J Qu, J Adamczyk, E Toberer, E Ertekin
APS March Meeting Abstracts 2021, J53. 001, 2021
12021
Alloying-Induced Structural Transition in the Promising Thermoelectric Compound CaAgSb
AKMA Shawon, W Guetari, K Ciesielski, R Orenstein, J Qu, S Chanakian, ...
Chemistry of Materials 36 (4), 1908-1918, 2024
2024
Understanding charge carrier mobility in Hg₂GeTe₄
CE Porter, J Qu, K Ciesielski, E Ertekin, E Toberer
2023 Graduate Research And Discovery Symposium (GRADS) posters and presentations, 2023
2023
Extrinsic doping of Hg 2 GeTe 4 in the face of defect compensation and phase competition
CE Porter, J Qu, K Cielsielski, E Ertekin, ES Toberer
Journal of Materials Chemistry C 11 (26), 8838-8849, 2023
2023
Controlling thermoelectric transport via native defects in the diamond-like semiconductors Cu₂HgGeTe₄ and Hg₂GeTe₄
J Qu, CE Porter, LC Gomes, JM Adamczyk, MY Toriyama, BR Ortiz, ...
2021
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