Comment on the paper titled“Two-dimensional Sc2C: A reversible and high capacity hydrogen storage material predicted by first-principles calculations” by Hu et al., International Journal of Hydrogen Energy, 2014; 69, 1–4

2020 ◽  
Vol 45 (11) ◽  
pp. 7254-7256 ◽  
Author(s):  
Archa Santhosh ◽  
P. Ravindran
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
High Capacity ◽  
Hydrogen Energy ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Hydrogen Storage Material ◽  
Storage Material

scholarly journals Global minimum beryllium hydride sheet with novel negative Poisson's ratio: first-principles calculations

RSC Advances ◽  
2018 ◽  
Vol 8 (35) ◽  
pp. 19432-19436 ◽  
Author(s):  
Feng Li ◽  
Urs Aeberhard ◽  
Hong Wu ◽  
Man Qiao ◽  
Yafei Li
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Global Minimum ◽  
Metal Hydrides ◽  
Poisson's Ratio ◽  
First Principles Calculations ◽  
Hydrogen Storage Material ◽  
Storage Material ◽  
The Past ◽  
Negative Poisson's Ratio

As one of the most prominent metal-hydrides, beryllium hydride has received much attention over the past several decades, since 1978, and is considered as an important hydrogen storage material.

Recent Advances in Hydrogen Storage Materials

2012 ◽  
Vol 512-515 ◽  
pp. 1438-1441 ◽  
Author(s):  
Hong Min Kan ◽  
Ning Zhang ◽  
Xiao Yang Wang ◽  
Hong Sun
Keyword(s):  
Liquid Phase ◽  
Hydrogen Storage ◽  
Earth Metal ◽  
Solid Material ◽  
Hydrogen Energy ◽  
Hydrogen Storage Material ◽  
Ambient Conditions ◽  
Storage Material ◽  
Lithium Borohydride ◽  
Recent Advances

An overview of recent advances in hydrogen storage is presented in this review. The main focus is on metal hydrides, liquid-phase hydrogen storage material, alkaline earth metal NC/polymer composites and lithium borohydride ammoniate. Boron-nitrogen-based liquid-phase hydrogen storage material is a liquid under ambient conditions, air- and moisture-stable, recyclable and releases H2controllably and cleanly. It is not a solid material. It is easy storage and transport. The development of a liquid-phase hydrogen storage material has the potential to take advantage of the existing liquid-based distribution infrastructure. An air-stable composite material that consists of metallic Mg nanocrystals (NCs) in a gas-barrier polymer matrix that enables both the storage of a high density of hydrogen and rapid kinetics (loading in <30 min at 200°C). Moreover, nanostructuring of Mg provides rapid storage kinetics without using expensive heavy-metal catalysts. The Co-catalyzed lithium borohydride ammoniate, Li(NH3)4/3BH4 releases 17.8 wt% of hydrogen in the temperature range of 135 to 250 °C in a closed vessel. This is the maximum amount of dehydrogenation in all reports. These will reduce economy cost of the global transition from fossil fuels to hydrogen energy.

scholarly journals A New Phase of GaN

2016 ◽  
Vol 2016 ◽  
pp. 1-9 ◽  
Author(s):  
Qingyang Fan ◽  
Changchun Chai ◽  
Qun Wei ◽  
Jionghao Yang ◽  
Peikun Zhou ◽  
...  
Keyword(s):  
Band Gap ◽  
First Principles ◽  
Elastic Anisotropy ◽  
Ambient Pressure ◽  
Young Modulus ◽  
Structure Study ◽  
First Principles Calculations ◽  
Hydrogen Storage Material ◽  
Storage Material ◽  
New Phase

The structural, mechanical, and electronic properties of the orthorhombic GaN (Pnma-GaN) are investigated at ambient pressure by using first-principles calculations method with the ultrasoft pseudopotential scheme. The elastic constants and phonon calculations reveal Pnma-GaN is mechanically and dynamically stable at ambient pressure. The calculated Young modulus of Pnma-GaN is 170 GPa, which is the three-fifths of wurtzite-GaN. Electronic structure study shows that Pnma-GaN is a direct semiconductor with band gap of 1.847 eV. The anisotropic calculation shows that wurtzite-GaN has a smaller elastic anisotropy than that of Pnma-GaN in Young’s modulus. In addition, when the composition of aluminum increases from 0 to 0.063 in the alloy, the band gap decreases initially and increases afterward for Pnma-Ga1−xAlxN, while, for wurtzite-Ga1−xAlxN, the band gap increases with the increasing compositionx. Due to the structural porous feature, Pnma-GaN can also be expected to be a good hydrogen storage material.

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