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1、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).
2、P.F.Jiao, C.H. Hu*, D.H. Wang, Y. Zhong, H.Y. Zhou, and G.H. Rao, “Electronicstructure, thermodynamics, and thermoelectric properties of β-BaCu2S2: Afirst-principles study”, ComputationalMaterials Science 103, 105 (2015).
3、D.H.Wang, H.Y. Zhou, C.H. Hu*, A.R. Oganov, Y. Zhong, and G.H. Rao, “BaC: Anovel thermodynamically stable layered superconductor”, Phys. Chem. Chem. Phys. 16, 20780 (2014).
4、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).
5、Y. Zhong, H.Y. Zhou, C.H. Hu*, D.H. Wang, and G.H. Rao, "Theoretical studies of high-pressure phases, electronic structure, and vibrational properties of NaNH2", The Journal of Physical Chemistry C 116, 8387 (2012).
6、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).
7、Y. Zhong, H.Y. Zhou, C.H. Hu*, D.H. Wang, and A.R. Oganov, "Pressure-induced structural transitions of LiNH2: A first-principle study", Journal of Alloys and Compounds 544, 129 (2012).
8、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/Al2O3", Journal of Catalysis 274, 99 (2010).
9、C.H. Hu*, A.R. Oganov, A.O. Laykhov, H.Y. Zhou, and J. Hafner, "Insulating states of LiBeH3 under extreme compression", Phys. Rev. B 79, 134116 (2009).
10、C.H. Hu, C. Chizallet, H. Toulhoat, and R. Raybaud, "Structural, energetic, and electronic trends in low-dimensional late-transition-metal systems", Phys. Rev. B 79, 195416 (2009).
11、C.H. Hu*, A.R. Oganov, Y.M. Wang, H.Y. Zhou, A. Lyakhov, and J. Hafner, "Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations", J. Chem. Phys. 129, 234105 (2008).
12、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", Phys. Rev. B 76, 144104 (2007).
13、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", Phys. Rev. B 75, 224108 (2007).
14、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", J. Phys.: Condens. Matter 19, 176205 (2007).
15、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", J. Alloys Compd. 450, 369 (2008).
16、C.H. Hu, R.J. Zhang, L.Q. Shi, D.M. Chen, Y.M. Wang, and K. Yang, "First principles study of the alloying effect on chemical bonding characteristics of helium in La-Ni-M tritides", Mater. Sci. Eng. B 123, 13 (2005).
17、R. Chen, C.H. Hu*, S. Wei, J.H. Xia, J. Cui, and H.Y. Zhou, "Synthesis and activity of Ag-doped Bi2WO6 photocatalysts", Materials Science Forum 743-744, 560 (2013).
18、W.Zhao, C.H. Hu*, R. Chen, F.Z. Lv, Y. Zhong, and H.Y. Zhou, “Synthesisand photocatalytic activity of Ag-doped BiVO4”, Advanced Materials Research 734-737,2204 (2013).
19、Y.Feng, W. Huang, C.H. Hu*, W. Zhao, P.F. Jiao, Y. Zhong, and H.Y. Zhou, “Preparationof Ag-modified CaBiO2Cl and its photocatalytic ability under visiblelight”, Advanced Materials Research 955-959, 120 (2014).
20、F.Z.Lv, C.H. Hu*, D.H. Wang, W. Zhao, S. Wei, and H.Y. Zhou, “Doping Effectfrom Ag and Sb in KBiO3 Photocatalyst: A First-principles Study”, Materials Research Innovations 18, 1031(2014).
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