- [1]D. Y. Dang, J. L. Fan, and H. R. Gong*. Thermodynamic and mechanical properties of TiC from ab initio calculation. Journal of Applied Physics, 2014, 116: 033509
- [2]J. W. Wang, H. R. Gong*. Adsorption and diffusion of hydrogen on Ti, Al, and TiAl surfaces. International Journal of Hydrogen Energy, 2014, 39: 6068-6075
- [3]J. W. Wang, H. R. Gong*. Effect of hydrogen concentration on various properties of gamma TiAl. International Journal of Hydrogen Energy, 2014, 39: 1888-1896
- [4]C. P. Liang and H. R. Gong*. Fundamental mechanism of tetragonal transitions in titanium hydride. Materials Letters, 2014, 115: 252-255
- [5]C. P. Liang, J. L. Fan, H. R. Gong*, Xiangke Liao, Xiaoqian Zhu, and Shaoliang Peng. Interface structure and work function of W-Cu interfaces. Applied Physics Letters, 2013, 103: 211604
- [6]C. Wei, F. T. Kong, H. R. Gong*. Phase stability and elastic property of PdH and PdCuH phases. International Journal of Hydrogen Energy, 2013, 38: 16485-16494
- [7]F. T. Kong, H. J. Tao, and H. R. Gong*. Interstitial hydrogen in ZnO and ZnBeO. International Journal of Hydrogen Energy, 2013, 38: 5974-5982
- [8]C. P. Liang and H. R. Gong*. Atomic structure, mechanical quality, and thermodynamic property of TiHx phases. Journal of Applied Physics, 2013, 114: 043510
- [9]Q. Q. Ren and H. R. Gong*. Ground state of stoichiometric B2 FeAl. Solid State Communications, 2013, 169: 57-61
- [10]Peng Zhou, Chen Zhou, and H. R. Gong*. Chlorine adsorption on Mg, Ca, and MgCa surfaces. Materials Science and Engineering C, 2013, 33: 3826-3831
- [11]C. P. Liang and H. R. Gong*. Thermodynamic properties and lattice misfit of Ir-based superalloys. Intermetallics, 2013, 32: 429-436
- [12]Fei Wang, C. P. Liang and H. R. Gong*. Effects of spin-orbit coupling on various properties of hafnium dihydride. Materials Chemistry and Physics, 2013, 139: 139-146
- [13]F. T. Kong and H. R. Gong*. Influence of interstitial beryllium on properties of ZnO: A first-principle research. Computational Materials Science, 2012, 61: 127-133
- [14]Fei Wang and H. R. Gong*. First principles study of various Zr-H phases with low H concentrations. International Journal of Hydrogen Energy, 2012, 37: 12393-12401
- [15]Peng Zhou and H. R. Gong*. Phase stability, mechanical property, and electronic structure of an Mg-Ca system. Journal of the Mechanical Behavior of Biomedical Materials, 2012, 8: 154-164
- [16]C. P. Liang, G. H. Li and H. R. Gong*. Concerning the brittleness of iridium: An elastic and electronic view. Materials Chemistry and Physics, 2012, 133: 140-143
- [17]Fei Wang and H. R. Gong*. Mechanical and structural stability of zirconium dihydride. International Journal of Hydrogen Energy, 2012, 37: 9688-9695
- [18]S. Chen, C.P. Liang, H. R. Gong*. Structural stability, mechanical property and elastic anisotropy of TiAl-H system. International Journal of Hydrogen Energy, 2012, 37: 2676-2684
- [19]H. R. Gong. Ideal mechanical strength and interface cohesion property of Ir-base superalloys from first principles calculation. Materials Chemistry and Physics, 2011, 126: 284-288
- [20]C. P. Liang and H. R. Gong*. Fundamental influence of hydrogen on various properties of α-titanium. International Journal of Hydrogen Energy, 2010, 35: 3812-3816