Caichao Ye
Caichao Ye
Southern University of Science and Technology
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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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
ReaxFF study on combustion mechanism of ethanol/nitromethane
L Song, FQ Zhao, SY Xu, XH Ju, CC Ye
Fuel 303, 121221, 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
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
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
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
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