胡朝浩

（其中*表示为通讯作者）：

1. X. Wang, C. H. Hu*, H. An, D. Zhu, Y. Zhong, D. Wang, C. Tang, L. Sun, and H. Zhou, “Photocatalytic removal of MB and hydrogen evolution in water by (Sr_0.6Bi_0.305)₂Bi₂O₇/TiO₂ heterostructures under visible-light irradiation”, Applied Surface Science 544, 148920 (2021).

2. J. Chang, Z. Deng, X. Fang*, C. H. Hu*, L. Shi, T. Dai, M. Li, S. Wang, and G. Meng*, “Heterostructural (Sr_0.6Bi_0.305)₂Bi₂O₇/ZnO for novel high-performance H₂S sensor operating at low temperature”, Journal of Hazardous Materials 414, 125500 (2021).

3. D. Zhu, X. Wang, H. An, Y. Zhong, D. Wang, C. Tang, and C. H. Hu*, “Facile one-step hydrothermal fabrication of (Sr_0.6Bi_0.305)₂Bi₂O₇/SnO₂ heterojunction with excellent photocatalytic activity”, Nanomaterials 10, 321 (2020).

4. X. Wang, D. Zhu, Y. Zhong, D. Wang, and C. H. Hu*, “AgBr/(Sr_0.6Bi_0.305)₂Bi₂O₇ heterostructured composites: Fabrication, characterization, and significantly enhanced photocatalytic activity”, Catalysts 9, 394 (2019).

5. X. Wang, L. Liu, H. An, Y. Zhong, D. Wang, C. Tang, and C. H. Hu*, “(Sr_0.6Bi_0.305)₂Bi₂O₇ as a new visible-light-responsive photocatalyst: An experimental and theoretical study”, Materials Research Bulletin 118, 110484 (2019).

6. Jiayao Qin, Zhongmin Wang*, Dianhui Wang*, Yang Wu, Yan Zhong, Chaohao Hu*, and Huaiying Zhou, “Dissolution, diffusion, and penetration of H in the group VB metals investigated by first-principles method”, International Journal of Hydrogen Energy 44, 29083-29091 (2019).

7. Jiayao Qin, Zhongmin Wang*, Dianhui Wang*, Feng Wang, Xiaofeng Yan, Yan Zhong, Chaohao Hu*, and Huaiying Zhou, “First-principles investigation of hydrogen solubility and diffusivity in transition metal-doped vanadium membranes and their mechanical properties”, Journal of Alloys and Compounds 805, 747-756 (2019).

8. Dianhui Wang, Yang Wu, Zhenzhen Wan, Feng Wang, Zhongmin Wang*, Chaohao Hu*, Xiaotian Wang*, and Huaiying Zhou, “Effects of Mo alloying on stability and diffusion of hydrogen in the Nb16H phase: A first-principles investigation”, RSC Advances 9, 19495-19500 (2019).

9. H.X. Zhang, C.H. Hu*, D.H. Wang, Y. Zhong, H.Y. Zhou, and G.H. Rao, “Structural evolutions and electronic properties of Au_nGd (n = 6-15) small clusters: A first principles study”, Chin. Phys. B 27, 083601 (2018).

10. L.S. Zhong, C.H. Hu*, J. Zhuang, Y. Zhong, D.H. Wang, and H.Y. Zhou, “AgBr/MgBi₂O₆ heterostructured composites with highly efficient visible-light-driven photocatalytic activity”, Journal of Physics and Chemistry of Solids 117, 94 (2018).

11. Y. Zhong*, C.H. Hu, D.H. Wang, and H.Y. Zhou, “Pressure-induced influence on the crystal structure, electronic structure and thermoelectric properties of NaB₃: A first-principles study”, Journal of Alloys and Compounds 731, 323 (2018).

12. C.H. Hu*, J. Zhuang, L.S. Zhong, Y. Zhong, D.H. Wang, and H.Y. Zhou, “Significantly enhanced photocatalytic activity of visible light responsive AgBr/Bi₂Sn₂O₇ heterostructured composites”, Applied Surface Science 426, 1173 (2017).

13. Y. Wu, Z.M. Wang*, D.H. Wang, Z.Z. Wan, Y. Zhong, C.H. Hu*, and H.Y. Zhou, “Effects of Ni doping on various properties of NbH phases: A first-principles investigation”, Scientific Reports 7, 6535 (2017).

14. D.H. Wang, H.Y. Zhou, C.H. Hu*, Y. Zhong, A.R. Oganov, and G.H. Rao, “Prediction of thermodynamically stable Li-B compounds at ambient pressure”, Phys. Chem. Chem. Phys. 19, 8471 (2017).

15. G.R. Qian, H.Y. Niu, C.H. Hu, A.R. Oganov, Q. Zeng, and H.Y. Zhou, “Diverse chemistry of stable hydronitrogens, and Implications for planetary and materials sciences”, Scientific Reports 6, 25947 (2016).

16. C.H. Hu*, X.H. Yin, D.H. Wang, Y. Zhong, H.Y. Zhou, and G.H. Rao, “First-principles studies of electronic, optical, and mechanical properties of γ-Bi₂Sn₂O₇”, Chin. Phys. B 25, 067801 (2016).
    

17. P.F. Jiao, C.H. Hu*, D.H. Wang, Y. Zhong, H.Y. Zhou, and G.H. Rao, “Electronic structure, thermodynamics, and thermoelectric properties of β-BaCu₂S₂: A first-principles study”, Computational Materials Science 103, 105 (2015).

18. A.F. Goncharov, N. Holtgrewe, G.R. Qian, C.H. Hu, A.R. Oganov, M. Somayazulu, E. Stavrou, C.J. Pickard, A. Berlie, F. Yen, M. Mahmood, S.S. Lobanov, Z. Konôpková, V.B. Prakapenka, “Backbone N_xH compounds at high pressures”, J. Chem. Phys. 142, 214308 (2015).

19. D.H. Wang, H.Y. Zhou, C.H. Hu*, A.R. Oganov, Y. Zhong, and G.H. Rao, “BaC: A novel thermodynamically stable layered superconductor”, Phys. Chem. Chem. Phys. 16, 20780 (2014).

20. S. Yu, Q. Zeng, A.R. Oganov, C.H. Hu, G. Frapper, and L. Zhang, “Exploration of stable compounds, crystal structures, and superconductivity in the Be-H system”, AIP Advances 4, 107118 (2014).

21. K.K. Wang, X.D. Kang, Y.J. Zhong, C.H. Hu, J.W. Ren, and P. Wang, “Unexpected dehydrogenation behaviors of the 2LiBH₄-MgH₂ composite confined in mesoporous carbon scaffold”, Journal of Physical Chemistry C 118, 26447 (2014).

22. C.H. Hu*, A.R. Oganov, Q. Zhu, G.R. Qian, G. Frapper, A.O. Lyakhov, and H.Y. Zhou, “Pressure-induced stabilization and insulator-superconductor transition of BH”, Physical Review Letters 110, 165504 (2013).

23. K.K. Wang, X.D. Kang, Q. Kang, Y. J. Zhong, C.H. Hu, and P. Wang, “Improved reversible dehydrogenation of 2LiBH₄-MgH₂ composite by the controlled formation of transition metal boride”, Journal of Materials Chemistry A 2, 2146 (2014).

24. K.K. Wang, X.D. Kang, Y.J. Zhong, C.H. Hu, and P. Wang, “Improved reversible dehydrogenation properties of 2LiBH₄-MgH₂ composite by milling with graphitic carbon nitride”, International Journal of Hydrogen Energy 39, 13369 (2014).

25. K.K. Wang, X.D. Kang, J.H. Luo, C.H. Hu, and P. Wang, “Improved reversible dehydrogenation properties of LiBH₄-MgH₂ composite by tailoring nanophase structure using activated carbon”, International Journal of Hydrogen Energy 38, 3710 (2013).

26. Z.W. Ji, C.H. Hu*, D.H. Wang, Y. Zhong, J. Yang, W.Q. Zhang, and H.Y. Zhou, Mechanical properties and chemical bonding of the Os-B system: a first-principles study, Acta Materialia 60, 4208 (2012).

27. Y. Zhong, H.Y. Zhou, C.H. Hu*, D.H. Wang, and A.R. Oganov, Theoretical studies of high-pressure phases, electronic structure, and vibrational properties of NaNH₂, The Journal of Physical Chemistry C 116, 8387 (2012).

28. Y. Zhong, H.Y. Zhou, C.H. Hu*, D.H. Wang, and G.H. Rao, “Pressure-induced structural transitions of LiNH2: a first-principles study”, Journal of Alloys and Compounds 544, 129 (2012).

29. C.H. Hu, C. Chizallet, C. Mager-Maury, M. Corral-Valero, P. Sautet, H. Toulhoat, and P. Raybaud, “Modulation of catalyst particle structure upon support hydroxylation: ab initio insights into Pd₁₃ and Pt₁₃ / g-Al₂O₃”, Journal of Catalysis 274, 99 (2010).

30. C.H. Hu*, A.R. Oganov, A.O. Lyakhov, H.Y. Zhou, and J. Hafner, “Insulating states of LiBeH₃ under extreme compression”, Physical Review B 79, 134116 (2009).

31. C.H. Hu*, C. Chizallet, H. Toulhoat, and P. Raybaud, “Structural, energetic, and electronic trends in low-dimensional late-transition-metal systems”, Physical Review B 79, 195416 (2009).

32. C.H. Hu*, A.R. Oganov, Y.M. Wang, H.Y. Zhou, A.O. Lyakhov, and J. Hafner, “Crystal structure prediction of LiBeH₃ using ab initio total-energy calculations and evolutionary simulations”, The Journal Chemical Physics 129, 234105 (2008).

33. C.H. Hu, Y.M. Wang, D.M. Chen, D.S. Xu, and K. Yang, “First-principles calculations of structural, electronic, and thermodynamic properties of Na₂BeH₄”, Physical Review B 76, 144104 (2007).

34. C.H. Hu, D.M. Chen, Y.M. Wang, D.S. Xu, and K. Yang, “Structural transition of Li₂BeH₄ under high pressure: a first-principles study”, Physical Review B 75, 224108 (2007).

35. C.H. Hu, D.M. Chen, Y.M. Wang, D.S. Xu, and K. Yang, “First-principles investigations of pressure-induced structural transition in Mg(AlH₄)₂”, Journal of Physics: Condensed Matter 19, 176205 (2007).

36. C.H. Hu, D.M. Chen, Y.M. Wang, and K. Yang, “First-principles investigations of isotope effects in thermodynamic properties of TiX₂ (X=H, D, and T) system”, Journal of Alloys and Compounds 450, 369 (2008).

37. Y. Zhong, H.Y. Zhou, C.H. Hu, and S.K. Pan, “Phase relationship in the Tb-Fe-Cr ternary system at 600 ^oC”, Journal of Alloys and Compounds 541, 198 (2012).