Engineering Coexposed {001} and {101} Facets in Oxygen-Deficient TiO2 Nanocrystals for Enhanced CO2 Photoreduction under Visible Light L Liu, Y Jiang, H Zhao, J Chen, J Cheng, K Yang, Y Li Acs Catalysis 6 (2), 1097-1108, 2016 | 613 | 2016 |
High-throughput design of two-dimensional electron gas systems based on polar/nonpolar perovskite oxide heterostructures K Yang, S Nazir, M Behtash, J Cheng Scientific reports 6 (1), 34667, 2016 | 71 | 2016 |
Enhancing surface oxygen retention through theory-guided doping selection in Li 1− x NiO 2 for next-generation lithium-ion batteries J Cheng, L Mu, C Wang, Z Yang, HL Xin, F Lin, KA Persson Journal of Materials Chemistry A 8 (44), 23293-23303, 2020 | 60 | 2020 |
Aimsgb: An algorithm and open-source python library to generate periodic grain boundary structures J Cheng, J Luo, K Yang Computational Materials Science 155, 92-103, 2018 | 59 | 2018 |
Creating two-dimensional electron gas in nonpolar/nonpolar oxide interface via polarization discontinuity: First-principles analysis of CaZrO3/SrTiO3 heterostructure S Nazir, J Cheng, K Yang ACS Applied Materials & Interfaces 8 (1), 390-399, 2016 | 56 | 2016 |
Creating Two-Dimensional Electron Gas in Polar/Polar Perovskite Oxide Heterostructures: First-Principles Characterization of LaAlO3/A+B5+O3 Y Wang, W Tang, J Cheng, M Behtash, K Yang ACS applied materials & interfaces 8 (21), 13659-13668, 2016 | 44 | 2016 |
First-principles studies of polar perovskite KTaO 3 surfaces: structural reconstruction, charge compensation, and stability diagram Y Wang, J Cheng, M Behtash, W Tang, J Luo, K Yang Physical Chemistry Chemical Physics 20 (27), 18515-18527, 2018 | 41 | 2018 |
High-mobility two-dimensional electron gas in SrGeO 3-and BaSnO 3-based perovskite oxide heterostructures: an ab initio study Y Wang, W Tang, J Cheng, S Nazir, K Yang Physical Chemistry Chemical Physics 18 (46), 31924-31929, 2016 | 41 | 2016 |
Evaluation of amorphous oxide coatings for high-voltage Li-ion battery applications using a first-principles framework J Cheng, E Sivonxay, KA Persson ACS applied materials & interfaces 12 (31), 35748-35756, 2020 | 36 | 2020 |
Morphological transformations in polymer brushes in binary mixtures: DPD study J Cheng, A Vishnyakov, AV Neimark Langmuir 30 (43), 12932-12940, 2014 | 36 | 2014 |
Enhanced interfacial perpendicular magnetic anisotropy in Fe/MgO heterostructure via interfacial engineering S Nazir, S Jiang, J Cheng, K Yang Applied Physics Letters 114 (7), 2019 | 33 | 2019 |
Materials design principles of amorphous cathode coatings for lithium-ion battery applications J Cheng, KD Fong, KA Persson Journal of Materials Chemistry A 10 (41), 22245-22256, 2022 | 31 | 2022 |
First-Principles Prediction of Two-Dimensional Electron Gas Driven by Polarization Discontinuity in Nonpolar/Nonpolar AHfO3/SrTiO3 (A = Ca, Sr, and Ba … J Cheng, S Nazir, K Yang ACS Applied Materials & Interfaces 8 (46), 31959-31967, 2016 | 31 | 2016 |
Interface Energetics and Charge Carrier Density Amplification by Sn-Doping in LaAlO3/SrTiO3 Heterostructure S Nazir, J Cheng, M Behtash, J Luo, K Yang ACS applied materials & interfaces 7 (26), 14294-14302, 2015 | 29 | 2015 |
Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method J Cheng, A Vishnyakov, AV Neimark The Journal of Chemical Physics 142 (3), 2015 | 29 | 2015 |
Self-assembled two-dimensional layered oxide supercells with modulated layer stacking and tunable physical properties L Li, P Boullay, J Cheng, P Lu, X Wang, G Steciuk, J Huang, J Jian, X Gao, ... Materials Today Nano 6, 100037, 2019 | 25 | 2019 |
Design of two-dimensional electron gas systems via polarization discontinuity from large-scale first-principles calculations J Cheng, K Yang Journal of Materials Chemistry C 6 (25), 6680-6690, 2018 | 24 | 2018 |
Size effects and odd–even effects in MoS 2 nanosheets: first-principles studies PH Joo, J Cheng, K Yang Physical Chemistry Chemical Physics 19 (44), 29927-29933, 2017 | 24 | 2017 |
Nb and Ta layer doping effects on the interfacial energetics and electronic properties of LaAlO 3/SrTiO 3 heterostructure: first-principles analysis S Nazir, M Behtash, J Cheng, J Luo, K Yang Physical Chemistry Chemical Physics 18 (4), 2379-2388, 2016 | 23 | 2016 |
Comparison Studies of Interfacial Electronic and Energetic Properties of LaAlO3/TiO2 and TiO2/LaAlO3 Heterostructures from First-Principles Calculations J Cheng, J Luo, K Yang ACS Applied Materials & Interfaces 9 (8), 7682-7690, 2017 | 18 | 2017 |