Bo Shang

Bo Shang, Lecturer.

Email:bshang@cqu.edu.cn, Phone: +86-13983858642

Shang obtained his BS degree in Chemistry from University of Science and Technology of China. He received his Ph.D degree in physical chemistry from University of Science and Technology of China in 2012. Shang’s research interests focus on theoretical and computational chemistry. He’s current research topics including study and application of globally optimize algorithm, theoretical design of materials for rechargeable magnesium battery, structures and electronic properties of reconstructed surfaces, etc.

Selected Papers:

1. Tan M, Li T,* Shang, B,* Cui H, Quantum chemical prediction of the spectroscopic properties and ionic composition of the molten NaF-AlF3 salts, Journal of Molecular Liquids,2020,317,113937

2. Zhai J,* Wang QF, Li Q, Shang B,* Rahaman MH, Liang JL; Ji J, Liu WB, Degradation mechanisms of carbamazepine by delta-MnO2: Role of protonation of degradation intermediates, Science of the Total Environment, 2018, 640: 981-988. 

3. Zhang Y, Shang B,* Li LJ, Lei JL,Coupling effects of strain on structural transformation and bandgap engineering in SnS monolayer, RSC ADVANCES, 2017, 7(48): 30327-30333. 

4. Hu, BS,* Jin Y, Guan DJ, Luo ZT, Shang, B,* Fang QR, Ruan HB, H2-Dependent Carbon Dissolution and Diffusion-Out in Graphene Chemical Vapor Deposition Growth , J. Phys. Chem. C, 2015, 119(42). 

5. Huang P, Shang, B,* Li LJ, Lei JL, First-Principles Study of La Doping Effects on the Electronic Structures and Photocatalytic Properties of Anatase TiO2, Chinese Journal of Chemical Physics, 2015, 28(6): 681-687

6. Shang, B, Yuan, Lan-feng*; Yang, JL,First-principles Study on Geometric and Electronic Structures of Si(111)-root 7 x root 3-In Surface Reconstruction, Chinese Journal of Chemical Physics, 2012, 25(4): 403-408. 

7. Shang, B, Yuan, LF*; Zeng, XC,Yang, JL, Ab Initio Prediction of Amorphous B-84, Journal of Physical Chemistry A, 2010, 114(6): 2245-2249.