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Caichao Ye
Caichao Ye
Southern University of Science and Technology
Verified email at sustech.edu.cn - Homepage
Title
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Cited by
Year
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
4862017
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
1092022
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
622019
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
522020
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
482014
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
442015
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
382013
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
362022
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
352016
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
312021
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
312019
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
312014
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
242022
ReaxFF study on combustion mechanism of ethanol/nitromethane
L Song, FQ Zhao, SY Xu, XH Ju, CC Ye
Fuel 303, 121221, 2021
242021
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
242020
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
232021
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
222015
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
222012
crystal Morphology prediction and Anisotropic evolution of 1, 1-Diamino-2, 2-dinitroethylene (FOX-7) by Temperature Tuning
L Song, FQ Zhao, SY Xu, XH Ju, CC Ye
Scientific reports 10 (1), 2317, 2020
182020
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
182015
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