高效催化剂设计的多尺度模拟计算、低维材料电子性质的非均匀应变调控。

课程教学：

大学物理，大学物理实验

代表性论文：

1）J. L. Shi, J. H. Wu, X. J. Zhao, X. L. Xue, Y. F. Gao, Z. X. Guo* and S. F. Li*, Substrate co-doping modulates electronic metal–support interactions and significantly enhances single-atom catalysis, Nanoscale, 8, 19256 (2016).

2）J. L. Shi, X. J. Zhao, L. Y. Zhang, X. L. Xue, Z. X. Guo, Y. F. Gao and S. F. Li, An oxidized magnetic Au single atom on doped TiO₂(110) becomes a high performance CO oxidation catalyst due to the charge effect, J. Mater. Chem. A, 5, 19316 (2017).

3)Jin-Lei  Shi,  Xing-Ju  Zhao,  Gotthard  Seifert,  Su-Huai  Wei*  and  Dong-Bo  Zhang*.Unconventional deformation potential and half-metallicity in zigzag nanoribbons of 2D-Xenes. Phys. Chem. Chem. Phys., 22, 7294 (2020).                        

4)Jin-Lei  Shi,  Yunhua  Wang,  Xing-Ju  Zhao,  Yu-Zhong  Zhang,  Shengjun  Yuan,  Su-Huai  Wei*  and  Dong-Bo Zhang*. Strain Induced Spin-splitting and Half-metallicity in Antiferromagnetic Bilayer Silicene under Bending. Phys. Chem. Chem. Phys., 22, 11567 (2020).