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基于计算机模拟的材料设计、合成和结构性能表征。

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Z. Y. Man, Y. W. Zhang, and D. J. Srolovitz, Molecular dynamics simulations of the stability of and defects in ZnO nanosheets, Computational Materials Science 44 (1), 86 (2008). Kai Guo, Zhen-Yong Man, Qi-Gao Cao, Hao-Hong Chen, Xiangxin Guo, and Jing-Tai Zhao, Effects of rare-earth substitution on the stability and electronic structure of REZnOSb (RE = La-Nd, Sm-Gd) investigated via first-principles calculations, Chem. Phys. 380 (1-3), 54 (2011). Kai Guo, Zhen-Yong Man, Xiao-Jun Wang, Hao-Hong Chen, Mei-Bo Tang, Zhi-Jun Zhang, Yuri Grin, and Jing-Tai Zhao, Chemical bonding and properties of "layered" quaternary antimonide oxide REOZnSb (RE = La, Ce, Pr, Nd), Dalton Trans. 40 (39), 10007 (2011). Manlian Huang, Kai Guo, Zhenyong Man, Haohong Chen, Xinxin Yang, Fangfang Xu, and Jingtai Zhao, Morphology controllable synthesis of yttrium oxide-based phosphors from yttrium citrate precursors, Journal of Rare Earths 29 (9), 830 (2011).

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