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1

Predictions 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 energetic materials from DFT and ReaxFF molecular modeling

Naserifar, Saber, Zybin, Sergey V., Ye, Caichao, Goddard, William A

Journal:

Journal of Materials Chemistry A

Year:

2015

Language:

english

File:

PDF, 13.21 MB

english, 2015

2

A Theoretical Tribological Comparison Between Soft and Hard Coatings of Spur Gear Pairs

Liu, Huaiju, Zhu, Caichao, Wang, Zhanjiang, Zhou, Ye, Zhang, Yuanyuan

Journal:

Journal of Tribology

Year:

2017

Language:

english

File:

PDF, 2.61 MB

english, 2017

3

C 3 N-A 2D Crystalline, Hole-Free, Tunable-Narrow-Bandgap Semiconductor with Ferromagnetic Properties

Yang, Siwei, Li, Wei, Ye, Caichao, Wang, Gang, Tian, He, Zhu, Chong, He, Peng, Ding, Guqiao, Xie, Xiaoming, Liu, Yang, Lifshitz, Yeshayahu, Lee, Shuit-Tong, Kang, Zhenhui, Jiang, Mianheng

Journal:

Advanced Materials

Year:

2017

Language:

english

File:

PDF, 1.86 MB

english, 2017

4

The effect of contact severity on micropitting: Simulation and experiments

Zhou, Ye, Zhu, Caichao, Gould, Benjamin, Demas, Nicholaos G., Liu, Huaiju, Greco, Aaron C.

Journal:

Tribology International

Year:

2019

Language:

english

File:

PDF, 2.19 MB

english, 2019

5

Ab initio thermodynamic optimization of Ni-rich Ni–Co–Mn oxide cathode coatings

Liu, Bo, Liu, Jian, Yang, Jiong, Wang, Da, Ye, Caichao, Wang, Deyu, Avdeev, Maxim, Shi, Siqi, Yang, Jihui, Zhang, Wenqing

Journal:

Journal of Power Sources

Year:

2020

Language:

english

File:

PDF, 1.63 MB

english, 2020

6

Enhancing the magnetic relaxivity of MRI contrast agents via the localized superacid microenvironment of graphene quantum dots

Li, Yongqiang, Dong, Hui, Tao, Quan, Ye, Caichao, Yu, Mengmeng, Li, Jipeng, Zhou, Huifang, Yang, Siwei, Ding, Guqiao, Xie, Xiaoming

Journal:

Year:

2020

File:

PDF, 12.66 MB

2020

7

Study on Tooth Interior Fatigue Fracture Failure of Wind Turbine Gears

Bai, Houyi, Zhu, Caichao, Zhou, Ye, Chen, Xiaojin, Feng, Houbin, Ye, Wei

Journal:

Year:

2020

File:

PDF, 16.39 MB

2020

8

Adsorption and Decomposition Mechanism of 1,1-Diamino-2,2-dinitroethylene on Al(111) Surface by Periodic DFT Calculations

Caichao Ye, Xuehai Ju, Fengqi Zhao, Siyu Xu

Journal:

Chinese Journal of Chemistry

Year:

2012

Language:

english

File:

PDF, 1.91 MB

english, 2012

9

Theoretical calculation based synthesis of a poly(p-phenylenediamine)–Fe 3 O 4 composite: a magnetically recyclable photocatalyst with high selectivity for acid dyes

Yang, Siwei, Ye, Caichao, Song, Xun, He, Lin, Liao, Fang

Journal:

Year:

2014

Language:

english

File:

PDF, 1.07 MB

english, 2014

10

Quantum size effect of poly(o-phenylenediamine) quantum dots: From controllable fabrication to tunable photoluminescence properties

Yan, Shuai, Yang, Siwei, He, Lin, Ye, Caichao, Song, Xun, Liao, Fang

Journal:

Synthetic Metals

Year:

2014

Language:

english

File:

PDF, 2.71 MB

english, 2014

11

Prediction of the crystal packing of di-tetrazine-tetroxide (DTTO) energetic material

Mendoza-Cortes, Jose L., An, Qi, Goddard, William A., Ye, Caichao, Zybin, Sergey

Journal:

Journal of Computational Chemistry

Year:

2015

Language:

english

File:

PDF, 518 KB

english, 2015

12

2D Materials: C 3 N-A 2D Crystalline, Hole-Free, Tunable-Narrow-Bandgap Semiconductor with Ferromagnetic Properties (Adv. Mater. 16/2017)

Yang, Siwei, Li, Wei, Ye, Caichao, Wang, Gang, Tian, He, Zhu, Chong, He, Peng, Ding, Guqiao, Xie, Xiaoming, Liu, Yang, Lifshitz, Yeshayahu, Lee, Shuit-Tong, Kang, Zhenhui, Jiang, Mianheng

Journal:

Advanced Materials

Year:

2017

File:

PDF, 2.75 MB

2017

13

A numerical study on the contact fatigue life of a coated gear pair under EHL

Zhou, Ye, Zhu, Caichao, Liu, Huaiju, Song, Chaosheng, Li, zufeng, Gachot, Carsten

Journal:

Industrial Lubrication and Tribology

Year:

2017

Language:

english

File:

PDF, 821 KB

english, 2017

14

A Review on Micropitting Studies of Steel Gears

Liu, Huaiju, Liu, Heli, Zhu, Caichao, Zhou, Ye

Journal:

Year:

2019

Language:

english

File:

PDF, 9.38 MB

english, 2019

15

Rationalizing the interphase stability of Li|doped-Li 7 La 3 Zr 2 O 12via automated reaction screening and machine learning

Liu, Bo, Yang, Jiong, Yang, Hongliang, Ye, Caichao, Mao, Yuanqing, Wang, Jiping, Shi, Siqi, Yang, Jihui, Zhang, Wenqing

Journal:

Journal of Materials Chemistry A

Year:

2019

Language:

english

File:

PDF, 982 KB

english, 2019

16

Polarizing Graphene Quantum Dots towards Long-acting Intracellular Reactive Oxygen Species Evaluation and Tumour Detection

Xu, Anli, He, Peng, Ye, Caichao, Liu, Zhiduo, Gu, Bingli, Gao, Bo, Li, Yongqiang, Dong, Hui, Chen, Da, Wang, Gang, Yang, Siwei, Ding, Guqiao

Journal:

ACS Applied Materials & Interfaces

Year:

2020

File:

PDF, 1.52 MB

2020