Publications
27. J. Cheng, Bin Ouyang, Kristin A. Persson, “Mitigating the high-charge detrimental phase transformation in LiNiO2 using doping engineering.” ACS Energy Lett., Accepted. [doi]
26. J. Cheng, Kara D. Fong, Kristin A. Persson, “Materials Design Principles of Amorphous Cathode Coatings for Lithium-ion Battery Applications.” J. Mater. Chem. A, 10, 22245, (2022). [doi]
25. J. Burns, B. Ouyang, J. Cheng, M. Horton, M. Siron, O. Andriuc, R. Yang, G. Ceder, and K. Persson, “Equilibrium Particle Shape and Surface Chemistry of Disordered Li-Excess, Mn-Rich Li-ion Cathodes through First-Principles Modeling.” Chem. Mater., 34, 16, 7210, (2022). [doi]
24. J. Cheng, E. Sivonxay, and K. Persson, “Evaluation of Amorphous Oxide Coatings for High-voltage Li-ion Battery Applications using a First-Principles Framework.” ACS Appl. Mater. Interfaces, 12, 31, 35748, (2020). [doi]
23. J. Cheng, L. Mu, C. Wang, Z. Yang, H. Xin, F. Lin, and K. Persson, “Enhancing Surface Oxygen Retention through Theory-guided Doping Selection in Layered Ni-rich Cathodes for Next-generation Lithium-ion Batteries.” J. Mater. Chem. A, 8, 23293, (2020). [doi]
22. B. Xia, J. Cheng, M. Arengo, N. Rajput, Y. Janssen, J. Neilson, K. Persson, and J. Simonson, “Trigonal polymorph of Li2MnO3.” Phys. Rev. Materials, 4, 085401, (2020). [doi]
21. Y. Wang, Z. Zhang, J. Cheng, Q. Zhang, W. Tang and K. Yang, “Creating a two-dimensional hole gas in a polar/polar LaAlO3/KTaO3 perovskite heterostructure.” J. Mater. Chem. C, 8, 14230, (2020). [doi]
20. J. Ding, J. Cheng, F. Dogan, Y. Li, W. Lin, Y. Yao, A. Manchon, K. Yang, T. Wu, “Two-Dimensional Electron Gas at Spinel/Perovskite Interface: Interplay between Polar Catastrophe and Structural Defects.” ACS Appl. Mater. Interfaces, 12, 42982, (2020). [doi]
19. L. Li, J. Cheng, H. Wang, J. Huang, X. Gao, X. Wang, S. Misra, B. Zhang, J. Jian, A. Chen, P. Lu, X. Qian, K. Yang, and H. Wang, “Interfacial Engineering Enabled Novel Bi-Based Layered Oxide Supercells with Modulated Microstructures and Tunable Physical Properties.” Cryst. Growth Des., 19, 7088, (2019). [doi]
18. S. Naziar, S. Jiang, J. Cheng, and K. Yang, “Enhanced Interfacial Perpendicular Magnetic Anisotropy in Fe/MgO Heterostructure via Interfacial Engineering.” Appl. Phys. Lett., 114, 072407, (2019). [doi]
17. L. Li, P. Boullay, J. Cheng, P. Lu, X. Wang, G. Steciuk, J. Huang, J. Jian, X. Gao, B. Zhang, S. Misra, X. Zhang, K. Yang, and H. Wang, “Self-Assembled Two-Dimensional Layered Oxide Supercells with Modulated Layer Stacking and Tunable Physical Properties.” Materials Today Nano, 6, 100037, (2019). [doi]
16. J. Cheng, J. Luo and K. Yang, “Aimsgb: An Algorithm and Open-Source Python Library to Generate Periodic Grain Boundary Structures.” Comput. Mater. Sci., 155, 92, (2018). [doi]
15. J. Cheng and K. Yang, “Design of two-dimensional electron gas systems via polarization discontinuity from large-scale first-principles calculations.” J. Mater. Chem. C, 6, 6680, (2018). [doi]
14. Y. Wang, J. Cheng, M. Behtash, W. Tang, J. Luo, and K. Yang, “First-Principles Studies of Polar Perovskite KTaO3 Surfaces: Structural Reconstruction, Charge Compensation, and Stability Diagram.” Phys. Chem. Chem. Phys, 20, 18515, (2018). [doi]
13. J. Cheng, Yaqin Wang, Jian Luo, and Kesong Yang, “δ-Doping Effects on Electronic and Energetic Properties of LaAlO3/SrTiO3 Heterostructure: First-Principles Analysis of 23 Transition-Metal Dopants.” Adv. Mater. Interfaces, 4, 1700579, (2017). [doi]
12. J. Cheng, J. Luo, and K. Yang, “Comparison Studies of Interfacial Electronic and Energetic Properties of LaAlO3/TiO2 and TiO2/LaAlO3 Heterostructures from First-Principles Calculations.” ACS Appl. Mater. Interfaces. 9, 7682, (2017). [doi]
11. P. Joo, J. Cheng, and K. Yang, “Size Effects and Odd-Even Effects in the MoS2 Nanosheets: First- Principles Studies.” Phys. Chem. Chem. Phys., 19, 29927, (2017). [doi]
10. J. Cheng, S. Nazir, and K. Yang, “First-Principles Prediction of Two-Dimensional Electron Gas Driven by Polarization Discontinuity in Nonpolar/Nonpolar AHfO3/SrTiO3 (A=Ca, Sr, and Ba) Heterostructures.” ACS Appl. Mater. Interfaces, 8, 31959, (2016). [doi]
9. Y. Wang, W. Tang, J. Cheng, M. Behtash, and K. Yang, “Creating Two-Dimensional Electron Gas in Polar/Polar Perovskite Oxide Heterostructures: First-Principles Characterization of LaAlO3/A+B5+O3., *ACS Appl. Mater. Interfaces, 8, 13659, (2016). [doi]
8. L. Liu, Y. Jiang, H. Zhao, J. Chen, J. Cheng, K. Yang, and Y. Li, “Engineering Ti3+ Sites and Co-exposed {001} and {101} Facets in TiO2 Nanocrystals for Enhanced CO2 Photoreduction under Visible Light.” ACS Cata., 6, 1097, (2016). [doi]
7. Y. Wang, W. Tang, J.Cheng, S. Nazir, K. Yang, “High-mobility two-dimensional electron gas in SrGeO3-and BaSnO3-based perovskite oxide heterostructures: an ab initio study.” Phys. Chem. Chem. Phys., 18 (46), 31924, (2016). [doi]
6. K. Yang, S. Nazir, M. Behtash, and J. Cheng, “High-Throughput Design of Two-Dimensional Electron Gas Systems Based on Polar/Nonpolar Perovskite Oxide Heterostructures.” Sci. Rep., 6, 34667, (2016). [doi]
5. S. Nazir, M. Behtash, J. Cheng, J. Luo, and K. Yang, “Nb and Ta Layer Doping Effects on the Interfacial Energetics and Electronic Properties of LaAlO3/SrTiO3 Heterostructure: First-Principles Analysis.” Phys. Chem. Chem. Phys., 18, 2379, (2016). [doi]
4. S. Nazir, J. Cheng, and K. Yang, “Creating Two-Dimensional Electron Gas in Nonpolar/Nonpolar Oxide Interface via Polarization Discontinuity: First-Principles Analysis of CaZrO3/SrTiO3 Heterostructure.” ACS Appl. Mater. Interfaces, 8, 390, (2016). [doi]
3. S. Nazir, J. Cheng, M. Behtash, J. Luo, and K. Yang, “Interface Energetics and Charge Carrier Density Amplification by Sn-doping in LaAlO3/SrTiO3 Heterostructure.” ACS Appl. Mater. Interfaces, 7, 14294, (2015). [doi]
2. J. Cheng, A. Vishnyakov and A.V. Neimark, “Adhesion of Nanoparticles to Polymer Brushes Studied with the Ghost Tweezers Method.” J. Chem. Phys., 142, 034705 (2015). [doi]
1. J. Cheng, A. Vishnyakov and A.V. Neimark, “Morphological Transformations in Polymer Brushes in Binary Mixtures: DPD study.” Langmuir, 30, 12932 (2014). [doi]