Theoretical and Computational Molecular Science, Computational Molecular Science
2012 B.S. at Northwest Normal Univ. Department of Chemistry
2018 Ph.D. at Xi’an Jiaotong Univ. Department of Chemistry
2018.Oct-2022.June Postdoctoral Researcher at Institute for Molecular Science
2022.July- Research Assistant Professor at Institute for Molecular Science
Main research themes
Metallofullerenes, Heterogeneous Catalysts, Photo-functional Systems
||Metallofullerene, Nanocluster, Zeolite, Carbon Nanotube
Xiao-Li Pei, Pei Zhao, Hitoshi Ube, Zhen Lei, Koichi Nagata, Masahiro Ehara, Mitsuhiko Shionoya, Asymmetric Twisting of C‑Centered Octahedral Gold(I) Clusters by Chiral N‑Heterocyclic Carbene Ligation, J. Am. Chem. Soc., 2022, 144, 2156−2163.
Pei Zhao, Bundet Boekfa, Ken-ichi Shimizu, Masaru Ogura, Masahiro Ehara, Selective Catalytic Reduction of NO with NH3 over Cu-Exchanged CHA, GME, and AFX Zeolites: A Density Functional Theory Study, Catal. Sci. Technol., 2021, 11, 1780–1790.
Pei Zhao, Yutaka Maeda, Masahiro Ehara, Theoretical Insight into Configurational Selectivity of Functionalized Single-Walled Carbon Nanotubes Based on the Clar Sextet Theory, J. Phys. Chem. C, 2019, 123, 18629–18637.
Pei Zhao, Xiang Zhao, Masahiro Ehara, Theoretical Insights into Monometallofullerene Th@C76: Strong Covalent Interaction between Thorium and the Carbon Cage, Inorg. Chem., 2018, 57, 2961–2964.