科研项目：
1. 主持基金：博士科研启动基金，NaOBH4载流子迁移动力学研究。
2. 参与基金：国家自然科学基金面上项目，解析-数值积分混合的Fock-Like矩阵算法即在BDF程序中的应用。
3. 参与基金：国家自然科学基金青年科学基金项目，芯价分离近似的 MRCI 方法实现及中小型 分子芯电子激发态的研究。
学术论文：
[1] Qinfu Zhao, Jianpeng Guo, Mengyu Su, Bingbing Suo, Haiyan Zhu, Bo Zhou, Zhiyong Zhang, and Qi Song. Design principles for rotational cluster anion [BH4] - promote superionic conductivity in Sodium-Rich Anti-perovskite Na3OBH4[J]. Journal of Physical Chemistry C, 2022, 126(38).
[2] Qinfu Zhao, Lei Chen, Bingbing Suo, Zhiyong Zhang, Dan Deng, Bo Zhou, Haiyan Zhu, Qi Song. Theoretical study of the synthesis, characterization and hydrogen storage properties of a high-density hydrogen storage material: (CH3NH3)BH4 [J]. International Journal of Hydrogen Energy, 2021, 46(37): 19498-19507.
[3] Qinfu Zhao, Qi Song, Haiyan Zhu, Zhiyong Zhang, Zhenyi Jiang, Bo Zhou. Origin of the structural diversity of the alkaline metal borohydride MBH4 (M = Li, Na, K, Rb and Cs): Insights from firstprinciples calculations [J]. International Journal of Hydrogen Energy, 2020, 45(16): 9946-9958. |
