First-principles study on structural stability and dehydrogenation thermodynamics of MgH2 surface

被引:0
作者
Zhang, Jian [1 ,2 ]
Hua, Man-Yu [1 ]
Mao, Cong [1 ]
Long, Chun-Guang [1 ]
Zhou, Dian-Wu [3 ]
机构
[1] Key Lab. of Lightweight and Reliability Technol. for Eng. Vehicle, Edu. Department of Hunan Province, Institute of Automobile and Mechanical Engineering, Changsha University of Science and Technology, Changsha 410114, China
[2] Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, School of Chemistry and Biological Engineering, Changsha University of Science and Technology, Changsha 410004, China
[3] State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body, Hunan University, Changsha 410082, China
来源
Zhongguo Youse Jinshu Xuebao/Chinese Journal of Nonferrous Metals | 2013年 / 23卷 / 03期
关键词
Electronic structure;
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页码:786 / 792
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