Sex: male

Place of Birth: Dazhou, Sichuan, China

Marital Status: Married

Birth Date: February 28, 1985

Nationality: Chinese

Health: Excellent

2007.09-2013.07

Ph.D. in Materials Science and Engineering

School of Science, Nanjing University of Science and Technology

Advisor: Professor Kaiming Deng

Co-advisor: Professor Ruifeng Lu

2003.09-2007.07

B.S. in Applied physics

School of Science, Nanjing University of Science and Technology

2013.07-2018.03

Position: Assistant Professor

Institution: School of Materials Science and Engineering, Jiangsu University

2018.04-to data

Position: Associate Professor

Institution: School of Materials Science and Engineering, Jiangsu University

Theoretical Modeling of Nanostructures

DFT calculations

Molecular Dynamic Simulation

Applications of Batteries, Electrocatalysis, Photoelectrocatalysis, Hydrogen Storage

Gas Separation, Desalination

Computer skills

OS: Windows; Linux

Computational Software: GAUSSIAN, Materials Studio, VASP, ORCA, LAMMPS, Turbomole, VESTA

Office Software: Photoshop, Microsoft office

Language Skills

Mandarin, English

(Co-)First Author

[1] Meng, Linxing; Rao, Dewei; Tian, Wei; Cao, Fengren; Yan, Xiaohong; Li, Liang: " Simultaneous Manipulation of O-Doping and Metal Vacancy in Atomically Thin Zn₁₀In₁₆S₃₄ Nanosheet Arrays toward Improved Photoelectrochemical Performance." Angew. Chem., 130, 17124-17129(2018) (Co-first Author, performed all calculations and analyzed the results)

[2] Rao, Dewei; Liu, Xiaojing; Yang, Huan; Zhang, Lingyan; Qiao, Guanjun; Shen, Xiangqian; Yan, Xiaohong; Wang, Gongming; Lu, Ruifeng: " Interfacial Competition between Borophene-Based Cathode and Electrolyte for the Multiple-Sulfide Immobilization of Lithium Sulfur Battery. "  J. Mater. Chem. A, DOI: 10.1039/C8TA12176A (2019).

[3] Zuo, Yunpeng; Rao, Dewei; Li, Shuo; Li, Tingting; Zhu, Guilin; Chen, Shuangming; Song, Li; *Chai, Yang; *Han, Heyou: "Atomic vacancies control of Pd-based catalysts with enhanced electrochemical performance." Adv. Mater., 30, 1704171 (2018) (Co-first Author, performed all calculations and analyzed the results)

[4] Rao, Dewei; Zhang, Lingyan; Meng, Zhaoshun; Zhang, Xirui; Wang, Yunhui; Qiao, Guanjun; *Shen, Xiangqian; *Xia, Hui; Liu, Jiehua; *Lu, Ruifeng: "Ultrahigh energy storage and ultrafast ion diffusion in borophene-based anodes for rechargeable metal ion batteries." J. Mater. Chem. A, 5, 2328-2338 (2017).

[5] Rao, Dewei; *Lu, Ruifeng; Xiao, Chuanyun; Kan, Erjun; *Deng, Kaiming: "Lithium-doped MOF impregnated with lithium-coated fullerenes: A hydrogen storage route for high gravimetric and volumetric uptakes at ambient temperatures." Chem. Commun., 47, 7698-7700 (2011).

[6] Rao, Dewei; Wang, Yunhui; Zhang, Lingyan; Yao, Shanshan; Qian, Xinye; Xi, Xiaoming; Xiao, Kesong; Deng, Kaiming; *Shen, Xiangqian; *Lu, Ruifeng: "Mechanism of polysulfide immobilization on defective graphene sheets with N-substitution." Carbon, 110, 207-214 (2016).

[7] *Rao, Dewei; Yang, Huan; *Shen, Xiangqian; Yan, Xiaohong; Qiao, Guanjun; "Immobilisation of sulphur on cathodes of lithium–sulphur batteries via B-doped atomic-layer carbon materials." Phys. Chem. Chem. Phys., DOI: 10.1039/C8CP07736C (2019). (back cover)

[8]  Rao, Dewei; Zhang, Lingyan; Wang, Yunhui; Meng, Zhaoshun; Qian, Xinye; Liu, Jiehua; *Shen, Xiangqian; Qiao, Guanjun; *Lu, Ruifeng: "Mechanism on the Improved Performance of Lithium Sulfur Batteries with MXene-Based Additives." J. Phys. Chem. C, 121, 11047-11054 (2017).

[9]  Zuo, Yunpeng; Li, Tingting; Rao, Dewei; Lei, Xiaomin; Li, Qin; Zhu, Guilin; Lu, Ruifeng; *Han, Heyou: "Synthesis of Tellurium Fusiform Nanoarchitectures by Controlled Living Nanowire Modification." J. Phys. Chem. C, 120, 12305-12312 (2016). (Co-first Author, performed all calculations and analyzed the results)

[10]  Rao, Dewei; *Lu, Ruifeng; Meng, Zhaoshun; Wang, Yunhui; Lu, Zelin; Liu, Yuzhen; Chen, Xuan; Kan, Erjun; Xiao, Chuanyun; Deng, Kaiming; *Wu, Haiping: "Electronic properties and hydrogen storage application of designed porous nanotubes from a polyphenylene network." Int. J. Hydrogen Energy, 39, 18966-18975 (2014).

[11]  *Rao, Dewei; Wang, Yunhui; Meng, Zhaoshun; Yao, Shanshan; Chen, Xuan; *Shen, Xiangqian; *Lu, Ruifeng: "Theoretical study of H-2 adsorption on metal-doped graphene sheets with nitrogen-substituted defects." Int. J. Hydrogen Energy, 40, 14154-14162 (2015).

[12] Rao, Dewei; *Lu, Ruifeng; Meng, Zhaoshun; Xu, Genjian; Kan, Erjun; Liu, Yuzhen; Xiao, Chuanyun; *Deng, Kaiming: "Influences of lithium doping and fullerene impregnation on hydrogen storage in metal organic frameworks." Mol. Simul., 39, 968-974 (2013).

Corresponding Author

[1] Ding, Yingchun; *Xiao, Bing; Li, Jiling; Deng, Qijiu; Xu, Yunhua; Wang, Haifeng; *Rao, Dewei: "Improved Transport Properties and Novel Li Diffusion Dynamics in van der Waals C₂N/Graphene Heterostructure as Anode Materials for Lithium-Ion Batteries: A First-Principles Investigation." J. Phys. Chem. C, 123, 3353–3367(2019).

[2] Wang, Chengbing; Ling, San; Yang, Jin; *Rao, Dewei; *Guo, Zhiguang: " Self-organization of Amorphous Carbon Nanocapsules into Diamond Nanocrystals Driving by Self-nanoscopic Excessive Pressure under Moderate Electron Irradiation without External Heating." Small, 14, 1702072 (2018).

[3] Meng, Zhaoshun; Zhang, Xirui; Zhang, Yadong; Gao, Haiqi; Wang, Yunhui; Shi, Qi; *Rao, Dewei; *Liu, Yuzhen; Deng, Kaiming; Lu, *Ruifeng: "Graphdiyne as a High-Efficiency Membrane for Separating Oxygen from Harmful Gases: A First-Principles Study." ACS Appl. Mater. Interfaces, 8, 28166-28170 (2016).

[4] Zhang, Yadong; Shi, Qi; Liu, Yuzhen; Wang, Yunhui; Meng, Zhaoshun; Xiao, Chuanyun; Deng, Kaiming; *Rao, Dewei; *Lu, Ruifeng: "Hexagonal Boron Nitride with Designed Nanopores as a High-Efficiency Membrane for Separating Gaseous Hydrogen from Methane." J. Phys. Chem. C, 119, 19826-19831 (2015).

[5]  Wang, Yunhui; Meng, Zhaoshun; Liu, Yuzhen; You, Dongsen; Wu, Kai; Lv, Jinchao; Wang, Xuezheng; Deng, Kaiming; *Rao, Dewei; *Lu, Ruifeng: "Lithium decoration of three dimensional boron-doped graphene frameworks for high-capacity hydrogen storage." Appl. Phys. Lett., 106, 063901(2015).

[6] Shen, Hao; *Rao, Dewei; Xi, Xiaoming; Liu, Yuzhen; *Shen, Xiangqian: "N-substituted defective graphene sheets: promising electrode materials for Na-ion batteries." RSC Adv., 5, 17042-17048 (2015).