| VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code V Wang, N Xu, JC Liu, G Tang, WT Geng Computer Physics Communications 267, 108033, 2021 | 4152 | 2021 |
| Dopants fixation of Ruthenium for boosting acidic oxygen evolution stability and activity S Hao, M Liu, J Pan, X Liu, X Tan, N Xu, Y He, L Lei, X Zhang Nature communications 11 (1), 5368, 2020 | 364 | 2020 |
| Visualizing lithium dendrite formation within solid-state electrolytes M Sun, T Liu, Y Yuan, M Ling, N Xu, Y Liu, L Yan, H Li, C Liu, Y Lu, Y Shi, ... ACS Energy Letters 6 (2), 451-458, 2021 | 99 | 2021 |
| Tuning electronic correlations of ultra-small IrO2 nanoparticles with La and Pt for enhanced oxygen evolution performance and long-durable stability in acidic media S Hao, Y Wang, G Zheng, L Qiu, N Xu, Y He, L Lei, X Zhang Applied Catalysis B: Environmental 266, 118643, 2020 | 75 | 2020 |
| Synthesis of ionic ultramicroporous polymers for selective separation of acetylene from ethylene X Suo, X Cui, L Yang, N Xu, Y Huang, Y He, S Dai, H Xing Advanced Materials 32 (29), 1907601, 2020 | 74 | 2020 |
| A deep-learning potential for crystalline and amorphous Li–Si alloys N Xu, Y Shi, Y He, Q Shao The Journal of Physical Chemistry C 124 (30), 16278-16288, 2020 | 72 | 2020 |
| Understanding the molecular mechanism of lithium deposition for practical high-energy lithium-metal batteries N Xu, L Li, Y He, Y Tong, Y Lu Journal of Materials Chemistry A 8 (13), 6229-6237, 2020 | 48 | 2020 |
| Au1Co1 Alloy Supported on Graphene Oxide with Enhanced Performance for Ambient Electrolysis of Nitrogen to Ammonia Q Wang, G Zheng, S Hao, X Liu, J Zheng, Y Wang, Z Su, N Xu, Y He, L Lei, ... ACS Sustainable Chemistry & Engineering 8 (1), 44-49, 2019 | 42 | 2019 |
| In situ synthesis of ternary NiCoRu-based layered double hydroxide by chlorine corrosion toward electrocatalytic water oxidation S Hao, G Zheng, S Gao, L Qiu, N Xu, Y He, L Lei, X Zhang ACS Sustainable Chemistry & Engineering 7 (17), 14361-14367, 2019 | 41 | 2019 |
| Phase-Change Mechanism for Capturing CO2 into an Environmentally Benign Nonaqueous Solution: A Combined NMR and Molecular Dynamics Simulation Study M Tao, N Xu, J Gao, W Zhang, Y Li, MT Bernards, Y Shi, Y He, H Pan Energy & Fuels 33 (1), 474-483, 2018 | 39 | 2018 |
| Three-Dimensional Nitrogen-Doped Graphene Aerogel-Supported MnO Nanoparticles as Efficient Electrocatalysts for CO2 Reduction to CO M Wang, B Zhang, J Ding, N Xu, MT Bernards, Y He, Y Shi ACS Sustainable Chemistry & Engineering 8 (12), 4983-4994, 2020 | 38 | 2020 |
| Machine learning for molecular thermodynamics J Ding, N Xu, MT Nguyen, Q Qiao, Y Shi, Y He, Q Shao Chinese Journal of Chemical Engineering 31, 227-239, 2021 | 36 | 2021 |
| Chitosan oligosaccharide derived polar host for lithium deposition in lithium metal batteries Z Li, N Xu, Y Sha, J Ji, T Liu, L Yan, Y He, J Zheng, M Ling, Y Lu, C Liang Sustainable Materials and Technologies 24, e00158, 2020 | 21 | 2020 |
| Internal forces within the layered structure of Na-montmorillonite hydrates: Molecular dynamics simulation YC Li, SJ Wei, N Xu, Y He The Journal of Physical Chemistry C 124 (46), 25557-25567, 2020 | 16 | 2020 |
| Tensorial properties via the neuroevolution potential framework: Fast simulation of infrared and Raman spectra N Xu, P Rosander, C Schäfer, E Lindgren, N Österbacka, M Fang, ... Journal of Chemical Theory and Computation 20 (8), 3273-3284, 2024 | 14 | 2024 |
| Mechanisms of Xylene Isomer Oxidation by Non-thermal Plasma via Paired Experiments and Simulations T Shou, N Xu, Y Li, G Sun, MT Bernards, Y Shi, Y He Plasma Chemistry and Plasma Processing 39, 863-876, 2019 | 10 | 2019 |
| Spontaneously restoring specific bioaffinity of RGD in linear RGD-containing peptides by conjugation with zwitterionic dendrimers L Xu, N Xu, L Wang, H Qian, Y Li, M Fang, Z Xiang, W Lin, F Zhang, ... Acta biomaterialia 148, 61-72, 2022 | 5 | 2022 |
| Integrated Computational Pipeline for the High-Throughput Discovery of Cell Adhesion Peptides Z Wu, C Wang, C Li, N Xu, X Cao, S Chen, Y Shi, Y He, P Zhang, J Ji The Journal of Physical Chemistry Letters 15 (14), 3748-3756, 2024 | 1 | 2024 |
| Insights into the Atomic Mechanism of Lithium-Ion Diffusion in Li6PS5Cl via a Machine Learning Potential J Chen, M Fang, Q Wu, S Tang, J Zheng, C Wei, X Cao, Y Shi, N Xu, Y He Chemistry of Materials, 2025 | | 2025 |
| Transferability of Machine Learning Models for Predicting Raman Spectra M Fang, S Tang, Z Fan, Y Shi, N Xu, Y He The Journal of Physical Chemistry A 128 (12), 2286-2294, 2024 | | 2024 |
