1. Na Zhang (张娜)
    1. Educations
    2. Work Experience
    3. Research Topics
    4. Skills
    5. Publications
    6. Awards

Na Zhang (张娜)

PhD candidate, Institute of Molecular Plus, Tianjin University, China

E-mail: zhangna_710@tju.edu.cn/1575524527@qq.com

Educations

2020-present, Tianjin University

PhD, Theoretical catalysis, Chemistry

2016-2019, Shaanxi Normal University

Master, Spin dynamic of magnetic cluster, Condensed matter physics

2012-2016, Xianyang Normal University

Bachelor, Physics

Work Experience

Apr, 2019-Aug, 2020: Research Assistant (Theoretical Catalysis)

Dalian Institute of Chemical Physics-Chinese Academy of Science (DICP-CAS)

Research Topics

  1. Revealing the key role of bonding state in surface adsorption: N. Zhang, X. Chen, C. Sun, W. Xie, X. Wang, and J. Yao. Revealing the key role of bonding states in surface chemisorption. Chem. Eng. Sci., 249, 11735 (2022). DOI:10.1016/j.ces.2021.117345
  2. Catalyst design of small molecules hydrogenation: N. Zhang, Y. Si, X. Chen, X. Wang, and J. Yao. Bimetallic Synergy in Single-Atom Alloy Nanocatalyst for CO2 reduction to Ethylene. ACS Appl. Nano Mater. 6, (4), 2394-2402 (2023). DOI:10.1021/acsanm.2c04474
  3. Spin dynamics of magnetic cluster: N. Zhang, H. Du, J. Chang, W. Jin, C. Li, G. Lefkidis, and W. Hübner. Ab initial study of ultrafast laser-induced spin-flip, spin-flip-transfer, and spin crossover ComBzn+/0 clusters (m,n=1,2). Phys. Rev. B., 98, 104431 (2018). DOI: 10.1103/PhysRevB.98.104431

Skills

First-Principles: VASP, Gaussion, QE

Operating system: Linux, Windows

Publications

1. Revealing the key role of bonding states in surface chemisorption. N. Zhang, X. Chen, C. Sun, W. Xie, X. Wang, and J. Yao. Chem. Eng. Sci., 249, 11735 (2022). DOI:10.1016/j.ces.2021.117345

  • The slope of scaling relationship between OH and O is about twice of the OH and OOH, which is mainly induced by the contribution of dxz and dyz orbitals in M-N-C system;
  • The adsorption variations of transition metals in Metal-Nitrogen-Carbon are mainly attributed to the bonding state occupation instead of the anti-bonding state stated by the d band center.

2. Bimetallic Synergy in Single-Atom Alloy Nanocatalyst for CO2 reduction to Ethylene. N. Zhang, Y. Si, X. Chen, X. Wang, and J. Yao. ACS Appl. Nano Mater., 6, (4), 2394-2402 (2023). DOI:10.1021/acsanm.2c04474

  • Combining the electron-sufficient and deficient metals to construct bi-functional adsorption sites is beneficial for the chemical reaction with oxygenated reactants (CO2) and hydrocarbon products (C2H4);
  • The adsorption ability of electron deficient and sufficient elements are mainly dominated by the unoccupied bonding state and occupied anti-bonding state, respectively.

3. Ab initial study of ultrafast laser-induced spin-flip, spin-flip-transfer, and spin crossover ComBzn+/0 clusters (m,n=1,2).N. Zhang, H. Du, J. Chang, W. Jin, C. Li, G. Lefkidis, and W. Hübner.Phys. Rev. B., 98, 104431 (2018). DOI: 10.1103/PhysRevB.98.104431

  • Spin-flip scenarios (spin direction is changed) are realized in all structures driven by different sets of laser pulses.
  • Spin-flip-transfer process and a novel spin-crossover process (spin multiplicity is changed ) are achieved in Co2Bz and CoBz+, respectively.

4. Lanthanide Contraction Builds Better High-Voltage LiCoO2 Batteries. J. Xia#, N. Zhang# (Equally contribution), Y. Yang, X. Chen, X. Wang, F. Pan, J. Yao. Adv. Funct. Mater., 2212869 (2022).
DOI: 10.1002/adfm.202212869

5. Structural evolution of Cu2O nanocube electrocatalysts for the CO2 reduction reaction. Q. Ren#, N. Zhang# (Equally contribution), Z. Dong, L. Zhang, X. Chen, and L. Luo. Nano Energy, 106, 108080 (2023). DOI: 10.1016/j.nanoen.2022.108080

6. In Situ Structural Dynamics of Atomic Defects in Tungsten Oxide. Z. Dong#, N. Zhang# (Equally contribution), S. Wang, Y. Liu, L. Zhang, X. Chen, and L. Luo. J. Phys. Chem. Lett., 13, 7170-7176 (2022). DOI: 10.1021/acs.jpclett.2c01942

7. Incorporation of layered tin (IV) phosphate in graphene framework for high performance lithium-sulfur batteries. H. Yuan#, N. Zhang# (Equally contribution), L. Tian, L. Xu, Q. Shao, S. Danish Ali Zaidi, J. Xiao, and J. Chen. J. Energy Chem., 53 (2021).DOI: 10.1016/j.jechem.2020.05.028

8. Theoretical study of laser-induced ultrafast spin dynamics in small iron-benzene clusters and of related laser and magnetic-field effects. H. Du, J. Liu, N. Zhang, J. Chang, W. Jin, C. Li, G. Lefkidis, and W. Hübner.Phy. Rev. B 99, 134430 (2019). DOI: 10.1103/PhysRevB.99.134430

9. π Extended Doublet Open-Shell Graphene Fragments Exhibiting One Dimensional Chain Stacking. Y. Guo, S. Ding, N. Zhang, Z. Xu, S. Wu, J. Hu, Q. Xiang, Z. Li, X. Chen, S. Sato, J. Wu, Z. Sun. J. Am. Chem. Soc., 144, 2095−2100 (2022). DOI: 10.1021/jacs.1c12854

10. Model of ultrafast demagnetization driven by spin-orbit coupling in a photoexcited antiferromagnetic insulator Cr2O3. F. Guo, N. Zhang, W. Jin, J. Chang. J. Chem. Phys., 146(24):244502 (2017). DOI: 10.1063/1.4989957

11. Understanding catalytic activity trends of atomic pairs in single-atom catalysts towards oxygen reduction reactions. F. Zhang, W. Xie, N. Zhang, S. Li, X. Wang. Appl. Surf. Sci., 598, 153873 (2022).DOI: 10.1016/j.apsusc.2022.153873

Awards

2020, Tianjin University, The First Class Academic Scholarship

2020, Tianjin University, The First Class Academic Scholarship

2019, Shaanxi Normal University, Excellent Graduation Thesis

2018, Shaanxi Normal University, National Scholarship for Graduate Students

2017, Shaanxi Normal University, The Second Class JiXue Scholarship

©2017 Na Zhang

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