1.  Ke Wang , Yihe Xu , Xiaoyu Xie  and Haibo Ma. Theoretical Investigation of Distal Charge Separation in a Perylenediimide Trimer.  The Journal of Chemical Physics,  160,  164303, 2024. 

2.  Zhangxia Wang , Xiaoyu Xie  and Haibo Ma. Simultaneous Intra- and Intermolecular Singlet Fission in Bipentacene Macrocycle Aggregates.  Journal of Physical Chemistry Letters,  15,  3523-3530, 2024. 

3.  Yuli Lei , Xiaoyu Xie , Haibo Ma  and Jing Ma. Vitality of Intralayer Vibration in hBN for Effective Long-Range Interlayer Hole Transfer across High Barriers in MoSe2/hBN/WSe2 Heterostructures.  The Journal of Physical Chemistry Letters,  14,  11190-11199, 2023. 

4.  Zhangxia Wang , Xiaoyu Xie  and Haibo Ma. Optimizing through-space Interaction for Singlet Fission by Using Macrocyclic Structures.  Journal of Materials Chemistry C,  11,  6856-6866, 2023.