Hai-Chen Wang
Guangxi University
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Publication
Featured researches published by Hai-Chen Wang.
RSC Advances | 2015
Hai-Chen Wang; Jie Zheng; Dong-Hai Wu; Liu-Ting Wei; Bi-Yu Tang
The crystal structure of LiCa(AlH4)3 was investigated via first principle calculations, especially the positions of hydrogen atoms undetected in XRD experiments were predicted, then the thermodynamic favourability of the experimentally reported structure with respect to several candidates from the inorganic crystal structure database (ICSD) was confirmed. It is found that hexagonal packing of AlH4 layers along the c axis is present in LiCa(AlH4)3, and the detailed geometrical feature is further revealed. The electronic structures show that in LiCa(AlH4)3 the Li–AlH4 interaction is more covalent than in LiAlH4, while the Ca–AlH4 covalence is less than in Ca(AlH4)2. The overall stronger covalence in LiCa(AlH4)3 leads to weakened Al–H bonds. The Li–H interaction in LiCa(AlH4)3 dramatically turns out to be strong bonding, opposite to the Li–H anti-bonding in LiAlH4. The Ca–H bonds are more anti-bonding in LiCa(AlH4)3.
Journal of Magnesium and Alloys | 2014
Dong-Hai Wu; Hai-Chen Wang; Liu-Ting Wei; Rong-Kai Pan; Bi-Yu Tang
Journal of Physical Chemistry C | 2014
Hai-Chen Wang; Dong-Hai Wu; Liu-Ting Wei; Bi-Yu Tang
Journal of Alloys and Compounds | 2016
Lin Shao; Tao-Tao Shi; Jie Zheng; Hai-Chen Wang; Xiong-Ze Pan; Bi-Yu Tang
Computational Materials Science | 2015
Liu-Ting Wei; Xiong-Ze Pan; Dong-Hai Wu; Hai-Chen Wang; Lin Shao; Jie Zheng; Bi-Yu Tang
Computational Materials Science | 2016
Rong-Kai Pan; Hai-Chen Wang; Lin Shao; Jie Zheng; Xiong-Ze Pan; Bi-Yu Tang
Materials & Design | 2016
Rong-Kai Pan; Hai-Chen Wang; Tao-Tao Shi; Xiao Tian; Bi-Yu Tang
Materials & Design | 2016
Tao-Tao Shi; Jia-Ning Wang; Ya-Ping Wang; Hai-Chen Wang; Bi-Yu Tang
Physica B-condensed Matter | 2017
Xue-Feng Shi; Hai-Chen Wang; Ping-Ying Tang; Bi-Yu Tang
Journal of Materials Science | 2016
Hai-Chen Wang; Jia-Ning Wang; Xue-Feng Shi; Ya-Ping Wang; Bi-Yu Tang