| C3N—A 2D Crystalline, Hole‐Free, Tunable‐Narrow‐Bandgap Semiconductor with Ferromagnetic Properties S Yang, W Li, C Ye, G Wang, H Tian, C Zhu, P He, G Ding, X Xie, Y Liu, ... Advanced Materials 29 (16), 1605625, 2017 | 436 | 2017 |
| Soft template-directed interlayer confinement synthesis of a Fe-Co dual single-atom catalyst for Zn-air batteries Y Wu, C Ye, L Yu, Y Liu, J Huang, J Bi, L Xue, J Sun, J Yang, W Zhang, ... Energy Storage Materials 45, 805-813, 2022 | 76 | 2022 |
| Rationalizing the interphase stability of Li|doped-Li7La3Zr2O12 via automated reaction screening and machine learning B Liu, J Yang, H Yang, C Ye, Y Mao, J Wang, S Shi, J Yang, W Zhang Journal of Materials Chemistry A, 2019 | 55 | 2019 |
| Quantum size effect of poly (o-phenylenediamine) quantum dots: From controllable fabrication to tunable photoluminescence properties S Yan, S Yang, L He, C Ye, X Song, F Liao Synthetic metals 198, 142-149, 2014 | 46 | 2014 |
| Enhancing the magnetic relaxivity of MRI contrast agents via the localized superacid microenvironment of graphene quantum dots Y Li, H Dong, Q Tao, C Ye, M Yu, J Li, H Zhou, S Yang, G Ding, X Xie Biomaterials 250, 120056, 2020 | 44 | 2020 |
| Initial decomposition reaction of di-tetrazine-tetroxide (DTTO) from quantum molecular dynamics: implications for a promising energetic material CC Ye, Q An, WA Goddard III, T Cheng, WG Liu, SV Zybin, XH Ju Journal of Materials Chemistry A 3 (5), 1972-1978, 2015 | 39 | 2015 |
| Adsorption and decomposition mechanism of hexogen (RDX) on Al (111) surface by periodic DFT calculations CC Ye, FQ Zhao, SY Xu, XH Ju Journal of molecular modeling 19, 2451-2458, 2013 | 34 | 2013 |
| Prediction of the crystal packing of di‐tetrazine‐tetroxide (DTTO) energetic material JL Mendoza‐Cortes, Q An, WA Goddard III, C Ye, S Zybin Journal of Computational Chemistry 37 (2), 163-167, 2016 | 32 | 2016 |
| Theoretical calculation based synthesis of a poly (p-phenylenediamine)–Fe 3 O 4 composite: a magnetically recyclable photocatalyst with high selectivity for acid dyes S Yang, C Ye, X Song, L He, F Liao RSC advances 4 (97), 54810-54818, 2014 | 32 | 2014 |
| Initial decomposition of HMX energetic material from quantum molecular dynamics and the molecular structure transition of β-HMX to δ-HMX CC Ye, Q An, WQ Zhang, WA Goddard III The Journal of Physical Chemistry C 123 (14), 9231-9236, 2019 | 27 | 2019 |
| Formation of noble-metal-free 2D/2D ZnmIn2Sm+ 3 (m= 1, 2, 3)/MXene Schottky heterojunction as an efficient photocatalyst for hydrogen evolution M Ou, J Li, Y Chen, S Wan, S Zhao, J Wang, Y Wu, C Ye, Y Chen Chemical Engineering Journal 424, 130170, 2021 | 25 | 2021 |
| A dual-site doping strategy for developing efficient perovskite oxide electrocatalysts towards oxygen evolution reaction Y Liu, C Ye, SN Zhao, Y Wu, C Liu, J Huang, L Xue, J Sun, W Zhang, ... Nano Energy 99, 107344, 2022 | 22 | 2022 |
| Polarizing graphene quantum dots toward long-acting intracellular reactive oxygen species evaluation and tumor detection A Xu, P He, C Ye, Z Liu, B Gu, B Gao, Y Li, H Dong, D Chen, G Wang, ... ACS applied materials & interfaces 12 (9), 10781-10790, 2020 | 20 | 2020 |
| Adsorption and Decomposition Mechanism of 1, 1‐Diamino‐2, 2‐dinitroethylene on Al (111) Surface by Periodic DFT Calculations C Ye, X Ju, F Zhao, S Xu Chinese Journal of Chemistry 30 (10), 2539-2548, 2012 | 20 | 2012 |
| Prediction and Classification of Formation Energies of Binary Compounds by Machine Learning: An Approach without Crystal Structure Information Y Mao, H Yang, Y Sheng, J Wang, R Ouyang, C Ye, J Yang, W Zhang ACS Omega, 2021 | 19 | 2021 |
| ReaxFF study on combustion mechanism of ethanol/nitromethane L Song, FQ Zhao, SY Xu, XH Ju, CC Ye Fuel 303, 121221, 2021 | 18 | 2021 |
| Initial Decomposition Reactions of Bicyclo-HMX [BCHMX or cis-1,3,4,6-Tetranitrooctahydroimidazo-[4,5-d]imidazole] from Quantum Molecular Dynamics Simulations CC Ye, Q An, WA Goddard III, T Cheng, S Zybin, X Ju The Journal of Physical Chemistry C 119 (5), 2290-2296, 2015 | 18 | 2015 |
| Prediction of structures and properties of 2, 4, 6-triamino-1, 3, 5-triazine-1, 3, 5-trioxide (MTO) and 2, 4, 6-trinitro-1, 3, 5-triazine-1, 3, 5-trioxide (MTO3N) green … S Naserifar, S Zybin, CC Ye, WA Goddard III Journal of Materials Chemistry A 4 (4), 1264-1276, 2016 | 17 | 2016 |
| Reaction mechanism from quantum molecular dynamics for the initial thermal decomposition of 2, 4, 6-triamino-1, 3, 5-triazine-1, 3, 5-trioxide (MTO) and 2, 4, 6-trinitro-1, 3 … CC Ye, Q An, T Cheng, S Zybin, S Naserifar, XH Ju, WA Goddard III Journal of Materials Chemistry A 3 (22), 12044-12050, 2015 | 17 | 2015 |
| Synthesis of Tostadas‐Shaped Metal‐Organic Frameworks for Remitting Capacity Fading of Li‐Ion Batteries Y Cai, W Wang, X Cao, L Wei, C Ye, C Meng, A Yuan, H Pang, C Yu Advanced Functional Materials 32 (14), 2109927, 2022 | 16 | 2022 |
Siwei YangChinese Academy of Science（中国科学院上海微系统与信息技术研究所）Verified email at mail.sim.ac.cn
