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1

Multi-scale computation methods: Their applications in lithium-ion battery research and development

Shi, Siqi, Gao, Jian, Liu, Yue, Zhao, Yan, Wu, Qu, Ju, Wangwei, Ouyang, Chuying, Xiao, Ruijuan

Journal:

Chinese Physics B

Year:

2016

Language:

english

File:

PDF, 8.28 MB

english, 2016

2

First-principles study of lattice dynamics of LiFePO4

Siqi Shi, Hua Zhang, Xuezhi Ke, Chuying Ouyang, Minsheng Lei, Liquan Chen

Journal:

Physics Letters A

Year:

2009

Language:

english

File:

PDF, 196 KB

english, 2009

3

Antisite defects and Mg doping in LiFePO4: a

Hua Zhang, Yuanhao Tang, Jingqin Shen, Xiaogui Xin, Lixia Cui, Lijiang Chen, Chuying Ouyang, Siqi Shi, Liquan Chen

Journal:

Applied Physics A: Materials Science & Processing

Year:

2011

Language:

english

File:

PDF, 972 KB

english, 2011

4

Ab initio studies on atomic and electronic structures of black phosphorus

Du, Yanlan, Ouyang, Chuying, Shi, Siqi, Lei, Minsheng

Journal:

Journal of Applied Physics

Year:

2010

Language:

english

File:

PDF, 412 KB

english, 2010

5

Titanium Dioxide Engineered for Near-dispersionless High Terahertz Permittivity and Ultra-low-loss

Yu, Chuying, Zeng, Yang, Yang, Bin, Donnan, Robert, Huang, Jinbao, Xiong, Zhaoxian, Mahajan, Amit, Shi, Baogui, Ye, Haitao, Binions, Russell, Tarakina, Nadezda V., Reece, Mike J, Yan, Haixue

Journal:

Scientific Reports

Year:

2017

Language:

english

File:

PDF, 1.79 MB

english, 2017

6

Recombinant Dual-target MDM2/MDMX Inhibitor Reverses Doxorubicin Resistance through Activation of the TAB1/TAK1/p38 MAPK Pathway in Wild-type p53 Multidrug-resistant Breast Cancer Cells

Fan, Yangwei, Ma, Ke, Jing, Jiayu, Wang, Chuying, Hu, Yuan, Shi, Yu, Li, Enxiao, Geng, Qianqian

Journal:

Journal of Cancer

Year:

2020

Language:

english

File:

PDF, 2.65 MB

english, 2020

7

Efficient potential-tuning strategy through p-type doping for designing cathodes with ultrahigh energy density

Wang, Zhiqiang, Wang, Da, Zou, Zheyi, Song, Tao, Ni, Dixing, Li, Zhenzhu, Shao, Xuecheng, Yin, Wanjian, Wang, Yanchao, Luo, Wenwei, Wu, Musheng, Avdeev, Maxim, Xu, Bo, Shi, Siqi, Ouyang, Chuying, Chen

Journal:

National Science Review

Year:

2020

File:

PDF, 2.85 MB

2020

8

Ab initio Studies on Li4+xTi5O12 Compounds as Anode Materials for Lithium-Ion Batteries

Zhiyong Zhong, Chuying Ouyang, Siqi Shi, Minsheng Lei

Journal:

Year:

2008

Language:

english

File:

PDF, 238 KB

english, 2008

9

O-vacancy and surface on CeO2: A first-principles study

Siqi Shi, Yuanhao Tang, Chuying Ouyang, Lixia Cui, Xiaogui Xin, Peijuan Li, Weiwei Zhou, Hua Zhang, Minsheng Lei, Liquan Chen

Journal:

Journal of Physics and Chemistry of Solids

Year:

2010

Language:

english

File:

PDF, 1.31 MB

english, 2010

10

Crystal structure and electrochemical characteristics of non-AB5 type La–Ni system alloys

Siqi Shi, Chuying Ouyang, Minsheng Lei

Journal:

Journal of Power Sources

Year:

2007

Language:

english

File:

PDF, 657 KB

english, 2007

11

Effect of Mg-doping on the structural and electronic properties of LiCoO2: A first-principles investigation

Siqi Shi, Chuying Ouyang, Minsheng Lei, Weihua Tang

Journal:

Journal of Power Sources

Year:

2007

Language:

english

File:

PDF, 359 KB

english, 2007

12

First-principles investigation of the bonding, optical and lattice dynamical properties of CeO2

Siqi Shi, Xuezhi Ke, Chuying Ouyang, Hua Zhang, Hangchen Ding, Yuanhao Tang, Weiwei Zhou, Peijuan Li, Minsheng Lei, Weihua Tang

Journal:

Journal of Power Sources

Year:

2009

Language:

english

File:

PDF, 761 KB

english, 2009

13

Ab initio investigation of the surface properties of Cu(111) and Li diffusion in Cu thin film

Zhihua Xiong, Siqi Shi, Chuying Ouyang, Minsheng Lei, Liyun Hu, Yinghua Ji, Zhaoxiang Wang, Liquan Chen

Journal:

Physics Letters A

Year:

2005

Language:

english

File:

PDF, 454 KB

english, 2005

14

Density functional theory study of Ir atom deposited on γ-Al2O3 (001) surface

Yongchang Chen, Chuying Ouyang, Siqi Shi, Zhaolin Sun, Lijuan Song

Journal:

Physics Letters A

Year:

2009

Language:

english

File:

PDF, 718 KB

english, 2009

15

Small polaron migration in LixMn2O4: From first principles calculations

Chuying Ouyang, Yanlan Du, Siqi Shi, Minsheng Lei

Journal:

Physics Letters A

Year:

2009

Language:

english

File:

PDF, 331 KB

english, 2009

16

The effect of cation doping on spinel LiMn2O4: a first-principles investigation

Siqi Shi, Chuying Ouyang, Ding-sheng Wang, Liquan Chen, Xuejie Huang

Journal:

Solid State Communications

Year:

2003

Language:

english

File:

PDF, 195 KB

english, 2003

17

Influence of hydrogen dilution on low-temperature polycrystalline silicon formation using RF excitation SiH4/H2 plasma

Yao Ruohe, Lin Xuanying, Wu Pin, Yu Chuying, Shi Wangzhou, Lin Kuixun

Journal:

Solar Energy Materials and Solar Cells

Year:

2000

Language:

english

File:

PDF, 142 KB

english, 2000

18

Iodine ion transport in solid electrolyte LiI(C3H5NO)2: a first-principles identification

Siqi Shi, Lifang Xu, Chuying Ouyang, Zhaoxiang Wang, Liquan Chen

Journal:

Year:

2006

Language:

english

File:

PDF, 711 KB

english, 2006

19

Experimental and theoretical studies on dynamic properties of Li ions in LixMn2O4

Chuying Ouyang, Siqi Shi, Zhaoxiang Wang, Xuejie Huang, Liquan Chen

Journal:

Solid State Communications

Year:

2004

Language:

english

File:

PDF, 218 KB

english, 2004

20

First-principles study of lithium intercalated bilayer graphene

Zhou, JingJing, Zhou, WeiWei, Guan, ChunMei, Shen, JingQin, Ouyang, ChuYing, Lei, MinSheng, Shi, SiQi, Tang, WeiHua

Journal:

SCIENCE CHINA Physics, Mechanics & Astronomy

Year:

2012

Language:

english

File:

PDF, 720 KB

english, 2012

21

First-principles study of high-capacity hydrogen storage on graphene with Li atoms

Weiwei Zhou, Jingjing Zhou, Jingqin Shen, Chuying Ouyang, Siqi Shi

Journal:

Journal of Physics and Chemistry of Solids

Year:

2012

Language:

english

File:

PDF, 682 KB

english, 2012

22

Electronic states of metal (Cu, Ag, Au) atom on CeO2(1 1 1) surface: The role of local structural distortion

Yuanhao Tang, Hua Zhang, Lixia Cui, Chuying Ouyang, Siqi Shi, Weihua Tang, Hong Li, Liquan Chen

Journal:

Journal of Power Sources

Year:

2012

Language:

english

File:

PDF, 1.78 MB

english, 2012

23

Synthesis and Lithium Storage Mechanism of Ultrafine MoO 2 Nanorods

Guo, Bingkun, Fang, Xiangpeng, Li, Bin, Shi, Yifeng, Ouyang, Chuying, Hu, Yong-Sheng, Wang, Zhaoxiang, Stucky, Galen D., Chen, Liquan

Journal:

Chemistry of Materials

Year:

2012

Language:

english

File:

PDF, 2.61 MB

english, 2012

24

First-principles investigation of transition metal atom M (M = Cu, Ag, Au) adsorption on CeO2(110)

Cui, Lixia, Tang, Yuanhao, Zhang, Hua, Hector, Louis G., Ouyang, Chuying, Shi, Siqi, Li, Hong, Chen, Liquan

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 3.04 MB

english, 2012

25

Charge transfer and formation of Ce3+ upon adsorption of metal atom M (M = Cu, Ag, Au) on CeO2 (100) surface

Chen, Li-Jiang, Tang, Yuanhao, Cui, Lixia, Ouyang, Chuying, Shi, Siqi

Journal:

Journal of Power Sources

Year:

2013

Language:

english

File:

PDF, 1.47 MB

english, 2013

26

First-principles study of Li ion diffusion in

Ouyang, Chuying, Shi, Siqi, Wang, Zhaoxiang, Huang, Xuejie, Chen, Liquan

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 596 KB

english, 2004

27

by Cr doping and its identification by first-principles calculations

Shi, Siqi, Liu, Lijun, Ouyang, Chuying, Wang, Ding-sheng, Wang, Zhaoxiang, Chen, Liquan, Huang, Xuejie

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 199 KB

english, 2003

28

First-principles investigation of the structural, magnetic, and electronic properties of olivine

Shi, Siqi, Ouyang, Chuying, Xiong, Zhihua, Liu, Lijun, Wang, Zhaoxiang, Li, Hong, Wang, Ding-sheng, Chen, Liquan, Huang, Xuejie

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 310 KB

english, 2005

29

-doped

Tang, Yuanhao, Zhang, Hua, Cui, Lixia, Ouyang, Chuying, Shi, Siqi, Tang, Weihua, Li, Hong, Lee, Jong-Sook, Chen, Liquan

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 1.11 MB

english, 2010

30

(003) surfaces

Hu, Liyun, Xiong, Zhihua, Ouyang, Chuying, Shi, Siqi, Ji, Yinghua, Lei, Minsheng, Wang, Zhaoxiang, Li, Hong, Huang, Xuejie, Chen, Liquan

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 297 KB

english, 2005

31

Multiple Dirac Points and Hydrogenation-Induced Magnetism of Germanene Layer on Al (111) Surface

Liu, Gang, Liu, Shi-Bing, Xu, Bo, Ouyang, Chuying, Song, Hai-Ying, Guan, Shan, Yang, Shengyuan A.

Journal:

The Journal of Physical Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 2.29 MB

english, 2015

32

Structural, Electronic and Li Migration Properties of RE-Doped (RE = Ce, La) LiCoO 2 for Li-Ion Batteries: A First-Principles Investigation

Ning, Fanghua, Xu, Bo, Shi, Jing, Wu, Musheng, Hu, Yinquan, Ouyang, Chuying

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 1.23 MB

english, 2016

33

The strain effect on lithium ion migration in Li-Si alloys: A first-principles study

Wang, Guoqing, Shi, Jing, Wu, Musheng, Ouyang, Chuying, Xu, Bo

Journal:

Solid State Communications

Year:

2016

Language:

english

File:

PDF, 1.04 MB

english, 2016

34

Lithium ion adsorption and diffusion on black phosphorene nanotube: A First-principles Study

Cao, Jin, Shi, Jing, Hu, Yinquan, Wu, Musheng, Ouyang, Chuying, Xu, Bo

Journal:

Applied Surface Science

Year:

2016

Language:

english

File:

PDF, 865 KB

english, 2016

35

Structural, electronic, sodium diffusion and elastic properties of Na–P alloy anode for Na-ion batteries: Insight from first-principles calculations

Lu, Huansheng, Xu, Bo, Shi, Jing, Wu, Musheng, Hu, Yinquan, Ouyang, Chuying

Journal:

Modern Physics Letters B

Year:

2016

Language:

english

File:

PDF, 1.68 MB

english, 2016

36

Ab initio investigation of Jahn-Teller distortion tuned Li ion migration in λ-MnO2

Ning, Fanghua, Xu, B., Shi, Jing, Su, Haibin, wu, musheng, Liu, G., ouyang, chuying

Journal:

Journal of Materials Chemistry A

Year:

2017

Language:

english

File:

PDF, 2.19 MB

english, 2017

37

WITHDRAWN: Ab initio studies on atomic and electronic structures of black phosphorus

Du, Yanlan, Ouyang, Chuying, Shi, Siqi, Lei, Minsheng

Journal:

Solid State Sciences

Year:

2009

File:

PDF, 21 KB

2009

38

Confined Li ion migration in the Silicon-Graphene complex system: An ab initio investigation

Wang, Guoqing, Xu, Bo, Shi, Jing, Lei, Xueling, Ouyang, Chuying

Journal:

Applied Surface Science

Year:

2017

Language:

english

File:

PDF, 944 KB

english, 2017

39

Pain Perception of the First Eye versus the Second Eye during Phacoemulsification under Local Anesthesia for Patients Going through Cataract Surgery: A Systematic Review and Meta-Analysis

Shi, Chuying, Yuan, Jinqiu, Zee, Benny

Journal:

Journal of Ophthalmology

Year:

2019

Language:

english

File:

PDF, 1.54 MB

english, 2019

40

Recombinant Dual-target MDM2/MDMX Inhibitor Reverses Doxorubicin Resistance through Activation of the TAB1/TAK1/p38 MAPK Pathway in Wild-type p53 Multidrug-resistant Breast Cancer Cells

Fan, Yangwei, Ma, Ke, Jing, Jiayu, Wang, Chuying, Hu, Yuan, Shi, Yu, Li, Enxiao, Geng, Qianqian

Journal:

Journal of Cancer

Year:

2020

File:

PDF, 2.65 MB

2020

41

First-principles study on the structural, electronic, and Li-ion mobility properties of anti-perovskite superionic conductor Li3OCl (100) surface

Wu, Musheng, Xu, Bo, Luo, Wenwei, Sun, Baozhen, Shi, Jing, Ouyang, Chuying

Journal:

Applied Surface Science

Year:

2020

Language:

english

File:

PDF, 1.70 MB

english, 2020