A first-principles study of hydrogen storage capacity based on Li–Na-decorated silicene

2018 ◽  
Vol 20 (20) ◽  
pp. 13903-13908 ◽  
Author(s):  
Zhe Sheng ◽  
Shujing Wu ◽  
Xianying Dai ◽  
Tianlong Zhao ◽  
Yue Hao
Keyword(s):  
Alkali Metal ◽  
Hydrogen Storage ◽  
First Principles ◽  
Storage Capacity ◽  
Hydrogen Storage Capacity ◽  
High Hydrogen ◽  
First Principles Study ◽  
Surface Decoration

Surface decoration with alkali metal adatoms has been predicted to be promising for silicene to obtain high hydrogen storage capacity.

Ultra-high hydrogen storage capacity of Li-decorated graphyne: A first-principles prediction

2012 ◽  
Vol 112 (8) ◽  
pp. 084305 ◽  
Author(s):  
Hongyu Zhang ◽  
Mingwen Zhao ◽  
Hongxia Bu ◽  
Xiujie He ◽  
Meng Zhang ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Storage Capacity ◽  
Hydrogen Storage Capacity ◽  
High Hydrogen

High hydrogen-storage capacity of B-adsorbed graphene: First-principles calculation

2012 ◽  
Vol 152 (5) ◽  
pp. 386-389 ◽  
Author(s):  
Jianfu Li ◽  
Xiaoli Wang ◽  
Kai Liu ◽  
Yuanyuan Sun ◽  
Li Chen
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Storage Capacity ◽  
First Principles Calculation ◽  
Hydrogen Storage Capacity ◽  
High Hydrogen

First-Principles Study on the Hydrogen Storage of Sandwich-Type Dimetallocenes

2013 ◽  
Vol 677 ◽  
pp. 149-152
Author(s):  
Bo An ◽  
Hai Yan Zhu
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Storage Capacity ◽  
High Capacity ◽  
First Principles Calculation ◽  
Hydrogen Storage Materials ◽  
Ambient Conditions ◽  
Hydrogen Storage Capacity ◽  
Hydrogen Molecules ◽  
Sandwich Type

The paper mainly focuses on the ability of absorbing hydrogen molecule of the dimetallocene (C5H5)2TM2(TM=Ti/Zn/Cu/Ni) based on the first-principles calculation. The result indicates that these compounds can adsorb up to eight hydrogen molecules, the binding energy is 0.596eV/H2 for Cp2Ti2, 0.802eV/H2 for Cp2Zn2, 0.422eV/H2 for Cp2Cu2 and 0.182eV/H2 for Cp2Ni2 respectively. The corresponding gravimetric hydrogen-storage capacity is 7.1wt% for Cp2Ti2, 6.2wt% for Cp2Zn2, 6.3wt% for Cp2Cu2 and 6.5wt% for Cp2Ni2 respectively. These sandwich-type organometallocenes proposed in this work are favorable for reversible adsorption and desorption of hydrogen under ambient conditions. These predictions will likely provide a new route for developing novel high-capacity hydrogen-storage materials.

scholarly journals Recent advances on the thermal destabilization of Mg-based hydrogen storage materials

RSC Advances ◽  
2019 ◽  
Vol 9 (1) ◽  
pp. 408-428 ◽  
Author(s):  
Jianfeng Zhang ◽  
Zhinian Li ◽  
Yuanfang Wu ◽  
Xiumei Guo ◽  
Jianhua Ye ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
Storage Capacity ◽  
Magnesium Hydride ◽  
Hydrogen Storage Materials ◽  
Hydrogen Storage Capacity ◽  
High Hydrogen ◽  
Storage Materials ◽  
Recent Advances

Magnesium hydride and its compounds have a high hydrogen storage capacity and are inexpensive, and thus have been considered as one of the most promising hydrogen storage materials for on-board applications.

Regeneration of Ammonia-Borane Complex for Hydrogen Storage

2005 ◽  
Vol 884 ◽  
Author(s):  
Nahid Mohajeri ◽  
Ali T-Raissi
Keyword(s):  
Hydrogen Storage ◽  
Energy Efficient ◽  
Storage Capacity ◽  
Storage System ◽  
Cost Effective ◽  
Hydrogen Storage Capacity ◽  
High Hydrogen ◽  
The Past ◽  
Hydrogen Storage System ◽  
Energy Center

AbstractAt the Florida Solar Energy Center (FSEC), a research program is underway for developing a high-density hydrogen storage system based on amine-borane (AB) complexes. Due to their high hydrogen capacity, these hydrides have been employed, in the past, as disposable hydrogen sources for fuel cell applications. However, to meet the requirements for hydrogen storage onboard vehicles, it is essential that cost effective and energy efficient methods for the regeneration (i.e. hydrogenation) of the spent (dehydrogenated) AB complexes can be found that utilize only hydrogen and/or electricity (i.e. the only plausible hydrogen economy energy carriers).We are studying two ammoniaborane (NH3BH3)-based systems with high hydrogen storage capacity. The first system employs a borazine-cyclotriborazane cycle. Borazine is a product of NH3BH3 thermolysis. Cyclotriborazane is the inorganic analog of cyclohexane. The second system employs polymeric AB complexes such as poly-(aminoborane) and polyborazylene. Poly-(aminoborane), an inorganic analog of polyethylene, is also a product of amoniaborane thermolysis whilepolyborazylene is the product of borazine thermolysis.For the two systems above, we are developing regeneration (i.e. reduction of borazine, poly-(aminoborane) and polyborazylene) schemes based on: 1) catalytic hydrogenation and 2) indirect (multi-step) synthesis techniques.

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