28. Feng, X.; Liu, B.; Peng, Y.; Gu, C.; Bai, X.; Long, M.; Cai, M.; Tong, C.; Han, L.; Yang, J., Restricting the Formation of Pb–Pb Dimer via Surface Pb Site Passivation for Enhancing the Light Stability of Perovskite. Small 2022, 2201831.

27. Xu, Z.-F.; Tong, C.-J.; Si, R.-t.; Teobaldi, G.; Liu, L.-M., Nonadiabatic Dynamics of Polaron Hopping and Coupling with Water on Reduced TiO2. The Journal of Physical Chemistry Letters 2022, 13 (3), 857-863.

26. Tong, C.-J.; Cai, X.; Zhu, A.-Y.; Liu, L.-M.; Prezhdo, O. V., How Hole Injection Accelerates Both Ion Migration and Nonradiative Recombination in Metal Halide Perovskites. Journal of the American Chemical Society 2022, 144 (14), 6604-6612.

25. Tong, C.-J.; Edwards, H. J.; Hobson, T. D.; Durose, K.; Dhanak, V. R.; Major, J. D.; McKenna, K. P., Density Functional Theory and Experimental Determination of Band Gaps and Lattice Parameters in Kesterite Cu2ZnSn (S x Se1–x) 4. The journal of physical chemistry letters 2020, 11 (24), 10463-10468.

24. Geng, W.; Tong, C. J.; Zhang, Y.; Liu, L. M., Theoretical progress on the relationship between the structures and properties of perovskite solar cells. Advanced Theory and Simulations 2020, 3 (9), 2000022.

23. Tong, C.-J.; Li, L.; Liu, L.-M.; Prezhdo, O. V., Synergy between ion migration and charge carrier recombination in metal-halide perovskites. Journal of the American Chemical Society 2020, 142 (6), 3060-3068.

22. Tong, C.-J.; McKenna, K. P., Passivating grain boundaries in polycrystalline CdTe. The Journal of Physical Chemistry C 2019, 123 (39), 23882-23889.

21. Geng, W.; Hu, Q.; Tong, C. J.; Tang, Z. K.; Liu, L. M., The Influence of dipole moments induced by organic molecules and domain structures on the properties of CH3NH3PbI3 perovskite. Advanced Theory and Simulations 2019, 2 (7), 1900041.

20. Liu, T.; Tong, C. J.; Wang, B.; Liu, L. M.; Zhang, S.; Lin, Z.; Wang, D.; Lu, J., Trifunctional electrode additive for high active material content and volumetric lithium‐ion electrode densities. Advanced Energy Materials 2019, 9 (10), 1803390.

19. Tong, C.-J.; Li, L.; Liu, L.-M.; Prezhdo, O. V., Long carrier lifetimes in PbI2-rich perovskites rationalized by ab initio nonadiabatic molecular dynamics. ACS Energy Letters 2018, 3 (8), 1868-1874.

18. Zhang, L.; Geng, W.; Tong, C.-j.; Chen, X.; Cao, T.; Chen, M., Strain induced electronic structure variation in methyl-ammonium lead iodide perovskite. Scientific reports 2018, 8 (1), 1-9.

17. Gong, F.; Ding, Z.; Fang, Y.; Tong, C.-J.; Xia, D.; Lv, Y.; Wang, B.; Papavassiliou, D. V.; Liao, J.; Wu, M., Enhanced electrochemical and thermal transport properties of graphene/MoS2 heterostructures for energy storage: insights from multiscale modeling. ACS applied materials & interfaces 2018, 10 (17), 14614-14621.

16. Tong, C.-J.; Geng, W.; Prezhdo, O. V.; Liu, L.-M., Role of methylammonium orientation in ion diffusion and current–voltage hysteresis in the CH3NH3PbI3 perovskite. ACS Energy Letters 2017, 2 (9), 1997-2004.

15. Zhang, H.; Sun, L.; Dai, Y.; Tong, C.; Han, X., Tunable electronic and magnetic properties from structure phase transition of layered vanadium diselenide. Journal of Wuhan University of Technology-Mater. Sci. Ed. 2017, 32 (3), 574-578.

14. Wang, D.; Wen, B.; Zhu, Y.-N.; Tong, C.-J.; Tang, Z.-K.; Liu, L.-M., First-principles study of novel two-dimensional (C4H9NH3) 2PbX4 perovskites for solar cell absorbers. The Journal of Physical Chemistry Letters 2017, 8 (4), 876-883.

13. F Wang, W Geng, Y Zhou, HH Fang, CJ Tong, MA Loi, LM Liu, N Zhao. Phenylalkylamine passivation of organolead halide perovskites enabling high‐efficiency and air‐stable photovoltaic cells, Advanced materials 28 (45), 9986-9992(2016).

12. 12. X Gu, CJ Tong, S Rehman, LM Liu, Y Hou, S Zhang. Multifunctional nitrogen-doped loofah sponge carbon blocking layer for high-performance rechargeable lithium batteries, ACS Applied Materials & Interfaces 8 (25), 15991-16001(2016).

11. X Gu, C Tong, B Wen, L Liu, C Lai, S Zhang. Ball-milling synthesis of ZnO@sulphur/carbon nanotubes and Ni(OH)2@sulphur/carbon nanotubes composites for high-performance lithium-sulphur batteries, Electrochimica Acta 196, 369-376(2016).

10. W Geng, CJ Tong, J Liu, W Zhu, WM Lau, LM Liu. Structures and electronic properties of different CH3NH3PbI3/TiO2 interface: a first-principles study, Scientific reports 6 (1), 1-8(2016).

9. Z Su, CJ Tong, DQ He, C Lai, LM Liu, C Wang, K Xi. Ultra-small B 2 O 3 nanocrystals grown in situ on highly porous carbon microtubes for lithium–iodine and lithium–sulfur batteries, Journal of Materials Chemistry A 4 (22), 8541-8547(2016).

8. Xin Wang,Xiangye Liu,Chuan-Jia Tong,Xiaotao Yuan,Wujie Dong,Tianquan Lin,Li-Min Liu and Fuqiang Huang. An electron injection promoted highly efficient electrocatalyst of FeNi3@GR@Fe-NiOOH for oxygen evolution and rechargeable metal–air batteries, J. Name., 2013, 00, 1-3(2016).

7. H Zhang, CJ Tong, J Wu, WJ Yin, YN Zhang. Low-dimensional ScO2 with tunable electronic and magnetic properties: first-principles studies, Journal of Physics: Condensed Matter 28 (1), 015004(2015).

6. ZK Tang, CJ Tong, W Geng, DY Zhang, LM Liu. Two-dimensional Ni (OH) 2-XS2 (X= Mo and W) heterostructures, 2D Materials 2 (3), 034014(2015).

5. W Geng, CJ Tong, ZK Tang, CY Yam, YN Zhang, WM Lau, LM Liu. Effect of surface composition on electronic properties of methylammonium lead iodide perovskite, Journal of Materiomics 1 (3), 213-220(2015).

4. CJ Tong, W Geng, ZK Tang, CY Yam, XL Fan, J Liu, WM Lau, LM Liu. Uncovering the Veil of the Degradation in Perovskite CH3NH3PbI3 upon Humidity Exposure: A First-Principles Study, The Journal of Physical Chemistry Letters 6 (16), 3289-3295(2015).

3. H Zhang, CJ Tong, Y Zhang, YN Zhang, LM Liu. Porous BN for hydrogen generation and storage, Journal of Materials Chemistry A 3 (18), 9632-9637(2015).

2. Xingxing Gu, Chuan-jia Tong, Chao Lai, Jingxia Qiu, Xiaoxiao Huang, Wenlong Yang, Bo Wen, Li-min Liu, Yanglong Hou, Shanqing Zhang. A porous nitrogen and phosphorous dual doped graphene blocking layer for high performance Li–S batteries, Journal of Materials Chemistry A 3 (32), 16670-16678(2015).

1. CJ Tong, H Zhang, YN Zhang, H Liu, LM Liu. New manifold two-dimensional single-layer structures of zinc-blende compounds, Journal of Materials Chemistry A 2 (42), 17971-17978(2014).