Peng Zhang, Ph.D

School of Materials Science and Engineering, Jiangsu University, 212013, Zhenjiang, China, Email: zhangpjlxb@ujs.edu.cn

Personal information:

Sex: Male                  Nationality: Chinese

Date of Birth: Mar 1^st, 1985    Marital status: Married

Education experience:

• Doctor of Philosophy, Materials Science & Engineering (Sep 2007 – Dec 2012)

Department of Materials Science and Engineering, Jilin University, China

Dissertation: Several Catalytic Processes on Fuel Cell Electrode Surface: A First Principles Study

Advisor: Prof. Qing Jiang

• Bachelor of Science, Materials Science & Engineering (Sep 2003 – Jun 2007)

Department of Materials Science and Engineering, Jilin University, China

Related courses: Chemistry, Physics, Chemicophysics, Materials Physics, Mechanics of Materials, Higher Mathematics, C Language, et al.

Work experience:

• Lecturer, Association Professor (Jan 2013 - now)

School of Materials Science and Engineering, Jiangsu University, China

Course: Fundamentals of Materials Science and Engineering

• Research Funding (Jan 2015 - now)

National Natural Science Foundation of China (Title: First Principles Studies of Oxygen Reduction Reaction on Silicon Doped Carbon Materials, ¥ 250000)

Research experience:

Investigated the mechanism of heterogeneous catalysis by first-principles

• Oxygen reduction reaction

• Determined the potential dependent and structural selectivity of the oxygen reduction reaction on nitrogen-doped carbon nanotubes

• Discovered the curvature effect of silicon-doped graphene and carbon nanotubes for oxygen reduction reaction

• Detected the elemental dependent on the oxygen reduction activity of two-dimensional π-conjugated metal bis(dithiolene) complex nanosheets

• CO oxidation

• Revealed the structural selectivity of CO oxidation on Fe/N/C catalysts

• CO₂ capture

• Studied the curvature effect of CO₂ capture and reduction on SiC nanotubes and sheets

Professional skills:

• Proficient in density functional theory and molecular dynamics calculations

• Familiar with many density functional theory and molecular dynamics codes, such as DMol3, CASTEP, Forcite and Discover

• Familiar with C language

Publications:

1. P. Zhang, Z. Wang, L. Liu,* L. H. Klausen, Y. Wang, J. Mi, M. Dong,* Modulation the electronic property of 2D monolayer MoS₂ by amino acid. Appl. Mater. Today 2019, 14, 151-158.

2. P. Zhang, X. Yang, X. Hou,* J. Mi, Z. Yuan, J. Huang,* C. Stampfl,* Active sites and mechanism of the direct conversion of methane and carbon dioxide to acetic acid over the zinc-modified H-ZSM-5 zeolite. Catal. Sci. Technol. 2019, DOI: 10.1039/C9CY01749F.

3. P. Zhang, X. J. Yang, W. Gao, X. L. Hou, J. L. Mi, L. Liu, J. Huang,* M. D. Dong,* C. Stampfl,* First-principles design of bifunctional oxygen reduction and evolution catalysts through bimetallic centers in metal-organic frameworks. Catal. Sci. Technol. 2018, 8, 3666.

4. L. P. Yang, J. L. Mi,* J. H. Liang, Z. Y. Zu, P. Zhang,* Copper-carbon: An efficient catalyst for oxygen reduction, ACS Appl. Energy Mater. 2019, 2, 6295-6301.

5. P. Zhang, B. B. Xiao, X. L. Hou, Y. F. Zhu,* Q. Jiang,* Layered SiC sheets: A potential catalyst for oxygen reduction reaction. Sci. Rep. 2014, 4, 3821. S. Chen, J. L. Mi,* P. Zhang,* Y. H. Feng, Y. C. Yong, W. D. Shi, Control synthesis of nickel selenides and their multiwalled carbon nanotubes composites as electrocatalysts for enhanced water oxidation. J. Phys. Chem. C 2018, 122, 26096-26104.

6. P. Zhang, X. L. Hou, L. Liu, J. L. Mi,* M. D. Dong,* Two-dimensional π-conjugated metal bis(dithiolene) complex nanosheets as selective catalysts for oxygen reduction reaction. J. Phys. Chem. C 2015, 119, 28028-28037.

7. P. Zhang, X. F. Chen, J. S. Lian, Q. Jiang,* Structure selectivity of CO oxidation on Fe/N/C catalysts. J. Phys. Chem. C 2012, 116, 17572-17579.

8. P. Zhang, W. T. Zheng, Q. Jiang,* Behaviors of monomer H₂O on the Cu(111) surface under surface charges. J. Phys. Chem. C 2010, 114, 19331-19337.

9. P. Zhang, X. Yang, X. Hou, X. Xu, B. Xiaonei, J.Huang, C. Stampfl, Metal-bipyridine complexes as electrocatalysts for the reduction of CO₂: A density functional theory study. Phys. Chem. Chem. Phys. 2019, DOI: 10.1039/C9CP02916H.

10. X. L. Hou, P. Zhang,* S. Li, W. Liu,* Enhanced electrocatalytic activity of nitrogen-doped olympicene/graphene hybrids for the oxygen reduction reaction. Phys. Chem. Chem. Phys. 2016, 18, 22799-22804.

11. P. Zhang, X. L. Hou,* J. L. Mi, Y. Q. He, L. Lin, Q. Jiang, M. D. Dong,* From two-dimension to one-dimension: the curvature effect of silicon-doped graphene and carbon nanotubes for oxygen reduction reaction. Phys. Chem. Chem. Phys. 2014, 16, 17479-17486.

12. P. Zhang, J. S. Lian, Q. Jiang,* Potential dependent and structure selectivity of the oxygen reduction reaction on nitrogen-doped carbon nanotubes: A density functional theory study. Phys. Chem. Chem. Phys. 2012, 14, 11715-11723.

13. X. Yang, Q. Hu, X. Hou,* J. Mi, P. Zhang,* Oxygen reduction reaction on M₃(hexaiminobenzene)₂: A density function theory study. Catal. Commun. 2018, 115, 17-20.

14. J. J. Yang, J. L. Mi,* X. J. Yang, P. Zhang,* L. N. Jin, L. H. Li, Z. Ao, Metal-organic framework derived N/C supported austenite nanoparticles as efficient oxygen reduction catalysts. ChemNanoMat 2019, 5, 525-530.

15. P. Zhang, Q. Hu, X. J. Yang, X. L, Hou,* J. L, Mi, L. Liu, M. D. Dong,* Size effect of oxygen reduction reaction on nitrogen-doped graphene quantum dots. RSC Adv. 2018, 8, 531-536.

16. P. Zhang, X. L. Hou,* J. L. Mi, Q. Jiang, H. Aslanb, M. D. Dong,* Curvature effect of SiC nanotubes and sheets for CO₂ capture and reduction. RSC Adv. 2014, 4, 48994-48999.

17. Y. Q. He, P. Zhang,* X. L. Hou, J. J. Xu, M. Q. Wang, Y. S. Wu, J. C. Qu, M. D. Dong,* Adjusting the electronic properties of silicon carbide nanoribbons by introducing edge functionalization. RSC Adv. 2014, 4, 35042-35047.

18. X. Hou, Q. Hu, P. Zhang,* J. Mi,* Oxygen reduction reaction on nitrogen-doped graphene nanoribbons: A density functional theory study. Chem. Phys. Lett. 2016, 663, 123-127.

19. P. Zhang,* X. L. Hou, Y. Q. He, Q. M. Peng,* M. D. Dong,* The effects of surface group functionalization and strain on the electronic structures of two-dimensional silicon carbide. Chem. Phys. Lett. 2015, 628, 60-65.

20. P. Zhang, X. L. Hou,* J. L. Mi, L. Liu, M. D. Dong,* Oxygen reduction reaction on M-S₄ embedded graphene: A density functional theory study. Chem. Phys. Lett. 2015, 641, 112-116.

21. P. Zhang, X. Hou, S. Li, D. Liu, M. Dong, Curvature effect of O₂ adsorption and dissociation on SiC nanotubes and nanosheet. Chem. Phys. Lett. 2015, 619, 92-96.