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19825月出生于四川泸县。2004年中国科学技术大学本科毕业,2010年中国科学技术大学博士。专业:物理化学。


 

联系方式

 Emailbshang@cqu.edu.cn 电话: 13983858642(同微信)

研究方向

理论与计算化学,近期主要研究方向包含:

1)镁离子电池关键材料的理论设计和模拟;

2)典型高分子环境损伤机理的理论模拟;

3)复杂表面重构及电子性质研究。

代表性论文、专著和专利

1. Min Tan, Tao Li, Yulin Zhu, Bo Shang, Jie Dang, Study on the dissolution of aluminium carbide formed on the graphite cathode in aluminium electrolysis, Journal of Molecular Liquids,331,115767(2021)

2. Min Tan, Tao Li, Bo Shang, Hennan Cui, Quantum chemical prediction of the spectroscopic properties and ionic composition of the molten NaF-AlF3 salts,Journal of Molecular Liquids,317,113937(2020)

3. Yu Zhang, Bo Shang, Lingjie Li, Jinglei Lei, Coupling effects of strain on structural transformation and bandgap engineering in SnS monolayer, RSC Advances, 7(48),30327-30333(2017)

4. Bao Shan Hu, Yan Jin, Dongjie Guan, Zhengtang Luo, Bo Shang, Qianrui Fang, Haibo Ruan, H2-dependent carbon dissolution and diffusion-out in graphene chemical vapor deposition growth,The Journal of Physical Chemistry C,119(42), 24124-24131(2015)

5. Bo Shang,Lan-feng Yuan and Jinlong Yang, First-principles Study of Geometric and Electronic Structures of Si(111)-√7×√3-In Surface Reconstruction. CJCP, 25, 403(2012)

6. Wen-Hui Zhao, Bo Shang, Sheng-Ping Du, Lan-Feng Yuan, Jinlong Yang, and X.C. Zeng, Highly selective adsorption of methanol in carbon nanotubes immersed in methanol-water solution, J. Chem. Phys. 137, 034501 (2012)

7. Bo Shang, Lan-Feng Yuan , Xiao Cheng Zeng, Jinlong Yang,Ab Initio Prediction of Amorphous B84, J. Phys. Chem. A, 114, 2245(2010)

8. Hui Li, Nan Shao, Bo Shang, Lan-Fen Yuang, Jinlong, Yang, Xiao Cheng Zeng Icosahedral B12-Containing Structures of B80, Chem. Commun., 46, 3878(2010)

专利:

1. 一种高强铝合金耐久性超双疏表面的制备方法,李凌杰; 雷惊雷; 文家新; 胡淋; 商波; 何建新; 潘复生,2017-11-10, 中国, ZL201711106428.4.

2. 一种环境适应性金属防护膜的制备方法 ,李凌杰; 雷惊雷; 刘雷; 苟建军; 何建新; 商波; 潘复生,2017-11-20, 中国, CN201711159984.8.


 

团队仪器设备

实验室拥有小型服务器计算平台,VASP, Gaussian09, lammps, turbomole, ADF等量子力学软件模拟包.