| Defect chemistry and doping of BiCuSeO MY Toriyama, J Qu, GJ Snyder, P Gorai Journal of Materials Chemistry A 9 (36), 20685-20694, 2021 | 34 | 2021 |
| 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 | 33* | 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 | 31 | 2019 |
| 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 | 30 | 2020 |
| 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 | 24 | 2020 |
| 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 | 23 | 2020 |
| Structure-dependent mechanical properties of extended beta-graphyne J Qu, H Zhang, J Li, S Zhao, T Chang Carbon 120, 350-357, 2017 | 23 | 2017 |
| 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 | 19 | 2022 |
| 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 | 11 | 2024 |
| 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 | 9* | 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 | 9 | 2021 |
| 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 | 6 | 2019 |
| 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 | 5 | 2023 |
| 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 | 3 | 2023 |
| 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 | 2 | 2024 |
| 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 | 2 | 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 | 1 | 2023 |
| 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 | 1 | 2021 |
| 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 |
| 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 |