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Found 26 results
Filters: Keyword is total-energy calculations and Author is Wang, C. Z.  [Clear All Filters]
2017
Z. Zhu, Wu, P., Wu, S. Q., Xu, L. H., Xu, Y. X., Zhao, X., Wang, C. Z., and Ho, K. M., An Efficient Scheme for Crystal Structure Prediction Based on Structural Motifs, Journal of Physical Chemistry C, vol. 121, pp. 11891-11896, 2017.
X. Zhao, Wang, C. Z., Kim, M., and Ho, K. M., Fe-Cluster Compounds of Chalcogenides: Candidates for Rare-Earth-Free Permanent Magnet and Magnetic Nodal-Line Topological Material, Inorganic Chemistry, vol. 56, pp. 14577-14583, 2017.
F. Yang, Lin, S. W., Yang, L., Liao, J. J., Chen, Y. J., and Wang, C. Z., First-principles investigation of metal-doped cubic BaTiO3, Materials Research Bulletin, no. 245421, pp. 372-378, 2017.
L. L. Liu, Sun, H. J., Wang, C. Z., and Lu, W. C., High-pressure structures of yttrium hydrides, Journal of Physics-Condensed Matter, vol. 29, p. 325401, 2017.
X. J. Liu and Wang, C. Z., Interplay between quantum confinement and surface effects in thickness selective stability of thin Ag and Eu films, Journal of Physics-Condensed Matter, vol. 29, p. 185504, 2017.
Z. Wang, Cao, X., Qiao, C., Zhang, R. J., Zheng, Y. X., Chen, L. Y., Wang, S. Y., Wang, C. Z., Ho, K. M., Fan, Y. J., Jin, B. Y., and Su, W. S., Novel penta-graphene nanotubes: strain-induced structural and semiconductor-metal transitions, Nanoscale, vol. 9, pp. 19310-19317, 2017.
C. Y. Du, Yu, L. W., Liu, X. J., Liu, L. L., and Wang, C. Z., Oscillatory electrostatic potential on graphene induced by group IV element decoration, Scientific Reports, vol. 7, p. 9, 2017.
X. Zhao, Yu, S., Wu, S. Q., Nguyen, M. C., Wang, C. Z., and Ho, K. M., Structures, phase transitions, and magnetic properties of Co3Si from first-principles calculations, Physical Review B, vol. 96, p. 024422, 2017.
L. H. Xiong, Wang, X. D., Yu, Q., Zhang, H., Zhang, F., Sun, Y., Cao, Q. P., Xie, H. L., Xiao, T. Q., Zhang, D. X., Wang, C. Z., Ho, K. M., Ren, Y., and Jiang, J. Z., Temperature-dependent structure evolution in liquid gallium, Acta Materialia, vol. 128, pp. 304-312, 2017.
Y. H. Dong, Lu, W. C., Xu, X., Zhao, X., Ho, K. M., and Wang, C. Z., Theoretical search for possible Au-Si crystal structures using a genetic algorithm, Physical Review B, vol. 95, p. 134109, 2017.
X. J. Liu and Wang, C. Z., Transition metal partially supported graphene: Magnetism and oscillatory electrostatic potentials, Journal of Applied Physics, vol. 122, p. 055303, 2017.
J. Liao, Yang, L., Wang, C. Z., and Lin, S., Tuning Cd adsorption behaviours on graphene by introducing defects: a first-principles study, Materials Technology, vol. 32, pp. 840-844, 2017.
2016
Z. Y. Wang, Dong, F., Shen, B., Zhang, R. J., Zheng, Y. X., Chen, L. Y., Wang, S. Y., Wang, C. Z., Ho, K. M., Fan, Y. J., Jin, B. Y., and Su, W. S., Electronic and optical properties of novel carbon allotropes, Carbon, vol. 101, pp. 77-85, 2016.
X. J. Liu and Wang, C. Z., Growth mode and structures of magnetic Mn clusters on graphene, RCS Advances, vol. 6, pp. 64595-64604, 2016.
X. J. Liu, Wang, C. Z., Hupalo, M., Ho, K. M., Thiel, P. A., and Tringides, M. C., Interplay between surface and surface resonance states on height selective stability of fcc Dy(111) film at nanoscale, Physical Chemistry Chemical Physics, vol. 18, pp. 31238-31243, 2016.
X. Zhao, Wang, C. Z., Yao, Y. X., and Ho, K. M., Large magnetic anisotropy predicted for rare-earth-free Fe16-xCoxN2 alloys, Physical Review B, vol. 94, p. 224424, 2016.
X. J. Liu, Wang, C. Z., Hupalo, M., Lin, H. Q., Ho, K. M., Thiel, P. A., and Tringides, M. C., Metal intercalation-induced selective adatom mass transport on graphene, Nano Research, vol. 9, pp. 1434-1441, 2016.
X. Zhao, Ke, L. Q., Wang, C. Z., and Ho, K. M., Metastable cobalt nitride structures with high magnetic anisotropy for rare-earth free magnets, Physical Chemistry Chemical Physics, vol. 18, pp. 31680-31690, 2016.
Z. Ye, Zhao, X., Li, S. D., Wu, S. Q., Wu, P., Nguyen, M. C., Guo, J. H., Mi, J. X., Gong, Z. L., Zhu, Z. Z., Yang, Y., Wang, C. Z., and Ho, K. M., Robust diamond-like Fe-Si network in the zero-strain NaxFeSiO4 cathode, Electrochimica Acta, vol. 212, pp. 934-940, 2016.

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