Role of charged defects and impurities in kinetics of hydrogen storage materials: A first-principles study

2007 ◽  
Vol 76 (21) ◽  
Author(s):  
Amra Peles ◽  
Chris G. Van de Walle
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Hydrogen Storage Materials ◽  
Storage Materials ◽  
First Principles Study ◽  
Defects And Impurities ◽  
Charged Defects ◽  
Kinetics Of

scholarly journals The first-principles study on the elasticity of V-based solid solution hydrogen storage materials

2009 ◽  
Vol 58 (10) ◽  
pp. 7044
Author(s):  
Zhou Jing-Jing ◽  
Chen Yun-Gui ◽  
Wu Chao-Ling ◽  
Pang Li-Juan ◽  
Zheng Xin ◽  
...  
Keyword(s):  
Solid Solution ◽  
Hydrogen Storage ◽  
First Principles ◽  
Hydrogen Storage Materials ◽  
Storage Materials ◽  
First Principles Study

A first-principles study of the thermodynamic and electronic properties of Mg and MgH2 nanowires

2016 ◽  
Vol 18 (28) ◽  
pp. 19412-19419 ◽  
Author(s):  
Xinxing Wu ◽  
Ruiqi Zhang ◽  
Jinlong Yang
Keyword(s):  
Hydrogen Storage ◽  
Electronic Properties ◽  
First Principles ◽  
Hydrogen Storage Materials ◽  
Storage Materials ◽  
First Principles Study ◽  
Thermodynamic Mechanism

The thermodynamic mechanism of MgH2 nanowires being good hydrogen storage materials is revealed.

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