Calcium decoration of boron nitride nanotubes with vacancy defects as potential hydrogen storage materials: A first-principles investigation

2021 ◽  
Vol 26 ◽  
pp. 101985
Author(s):  
Liang-Cai Ma ◽  
Ya-Ru Sun ◽  
Li-Chun Wang ◽  
Ling Ma ◽  
Jian-Min Zhang
Keyword(s):  
Boron Nitride ◽  
Hydrogen Storage ◽  
First Principles ◽  
Boron Nitride Nanotubes ◽  
Hydrogen Storage Materials ◽  
Vacancy Defects ◽  
Storage Materials

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

First-principles studies in Mg-based hydrogen storage Materials: A review

Energy ◽  
2020 ◽  
Vol 211 ◽  
pp. 118959
Author(s):  
XiuBo Xie ◽  
Chuanxin Hou ◽  
Chunguang Chen ◽  
Xueqin Sun ◽  
Yu Pang ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Hydrogen Storage Materials ◽  
Storage Materials

Solid-state reactions and hydrogen storage in magnesium mixed with various elements by high-pressure torsion: experiments and first-principles calculations

RSC Advances ◽  
2016 ◽  
Vol 6 (14) ◽  
pp. 11665-11674 ◽  
Author(s):  
Hoda Emami ◽  
Kaveh Edalati ◽  
Aleksandar Staykov ◽  
Toshifumi Hongo ◽  
Hideaki Iwaoka ◽  
...  
Keyword(s):  
High Pressure ◽  
Solid State ◽  
Hydrogen Storage ◽  
First Principles ◽  
High Pressure Torsion ◽  
Solid State Reactions ◽  
First Principles Calculations ◽  
Hydrogen Storage Materials ◽  
Storage Materials

The HPT technique is effective in synthesizing Mg-based hydrogen storage materials and improving the air resistivity and hydrogenation properties.

A theoretical first principles computational investigation into the potential of aluminum-doped boron nitride nanotubes for hydrogen storage

2020 ◽  
Vol 45 (19) ◽  
pp. 11176-11189 ◽  
Author(s):  
Mehdi Noura ◽  
Abbas Rahdar ◽  
S. Maryamdokht Taimoory ◽  
John J. Hayward ◽  
S. Iraj Sadraei ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Hydrogen Storage ◽  
First Principles ◽  
Boron Nitride Nanotubes ◽  
Computational Investigation

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.

Carbon doped boron nitride cages as competitive candidates for hydrogen storage materials

2010 ◽  
Vol 46 (6) ◽  
pp. 883-885 ◽  
Author(s):  
H. Y. Wu ◽  
X. F. Fan ◽  
Jer-Lai Kuo ◽  
Wei-Qiao Deng
Keyword(s):  
Boron Nitride ◽  
Hydrogen Storage ◽  
Hydrogen Storage Materials ◽  
Carbon Doped ◽  
Storage Materials
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