Mg 2 NiH 4 , with fast sorption kinetics, is considered to be a promising hydrogen storage material. However, its hydrogen desorption enthalpy is too high for practical applications. In this paper, first-principles calculations based on density functional theory (DFT) were performed to systematicall
โฆ LIBER โฆ
First-principle study of the effects of Nb and Ti doping on the dehydrogenation properties of Ca(BH4)2
โ Scribed by Zongguo Wang; Qun Hui; Chuilin Wang; Nanpu Cheng
- Book ID
- 116376016
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 861 KB
- Volume
- 50
- Category
- Article
- ISSN
- 0927-0256
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
First-principles study on the dehydrogen
โ
J. Zhang; Y.N. Huang; P. Peng; C. Mao; Y.M. Shao; D.W. Zhou
๐
Article
๐
2011
๐
Elsevier Science
๐
English
โ 902 KB
Study on the dehydrogenation kinetics an
โ
Jianfeng Mao; Zaiping Guo; Chung Kiak Poh; Abbas Ranjbar; Yanhui Guo; Xuebin Yu;
๐
Article
๐
2010
๐
Elsevier Science
๐
English
โ 780 KB
Effect of Nb on the Properties of Ti-Nb
โ
Lai, Min Jie; Xue, Xiang Yi; Meng, Cai Si; Kou, Hong Chao; Tang, Bin; Chang, Hui
๐
Article
๐
2013
๐
Trans Tech Publications, Ltd.
๐
English
โ 596 KB
On the reversibility of hydrogen storage
โ
Jae-Hun Kim; Jae-Hyeok Shim; Young Whan Cho
๐
Article
๐
2008
๐
Elsevier Science
๐
English
โ 548 KB
The hydrogen sorption properties of calcium borohydride (Ca(BH 4 ) 2 ) catalyzed with a small amount of TiF 3 , TiCl 3 , NbF 5 or NbCl 5 are investigated using thermal analyses and X-ray diffraction. NbF 5 exhibits the best performance among all the catalysts; it causes a decrease in the hydrogen de
First-Principle Study of the Electronic
โ
Chen, Chang Peng; Xie, Jian Xiong; Wang, Jia Fu
๐
Article
๐
2012
๐
Trans Tech Publications, Ltd.
๐
English
โ 403 KB
Structural and electronic properties of
โ
Guoqing Zhang; Junzhi Yang; He Fu; Jie Zheng; Yan Li; Xingguo Li
๐
Article
๐
2012
๐
Elsevier Science
๐
English
โ 719 KB