Periodic DFT insights into hydrogen storage of a B4CN3 nanosheet

2021 ◽  
Vol 45 (5) ◽  
pp. 2463-2469
Author(s):  
Rezvan Rahimi ◽  
Mohammad Solimannejad
Keyword(s):  
Hydrogen Storage ◽  
Adsorption Energy ◽  
Desorption Kinetics ◽  
Hydrogen Storage Material ◽  
Storage Material ◽  
Uptake Capacity ◽  
Target Set ◽  
Adsorption Desorption ◽  
Periodic Dft ◽  
The Ideal

The B4CN3 monolayer is fulfilling both the conditions for utilizing it as a hydrogen storage material. First, favorable averaged adsorption energy per H2 molecule which is within the ideal range for faster adsorption/desorption kinetics and second, the H2 uptake capacity of B4CN3 monolayer is higher than the target set by DOE (5.5 wt% by 2020).

Effects of Ce-Based Dopants on the Hydrogen Storage Material of NaAlH4

2012 ◽  
Vol 1441 ◽  
Author(s):  
Jianjiang Hu ◽  
Raiker Witter ◽  
Shuhua Ren ◽  
Maximilian Fichtner
Keyword(s):  
Hydrogen Storage ◽  
Sorption Properties ◽  
Desorption Kinetics ◽  
Chemical Forms ◽  
Hydrogen Storage Material ◽  
Storage Material ◽  
Hydrogen Capacity ◽  
Heating Treatment ◽  
Up Scaling

ABSTRACTCerium in various chemical forms was introduced into NaAlH4 to study the hydrogen sorption properties of the resulted material. Although all the Ce precursors tested in this work resulted in a reversible hydrogen storage material, an immediate enhancement in the desorption kinetics could be achieved by a heating treatment, resulting in the in situ formation of cerium aluminide (CeAl4) in the material. While the use of CeAl4 instead of CeCl3 can increase the hydrogen capacity by bypassing the formation of the ineffective NaCl, the highest capacity of 4.9 wt% was obtained from NaAlH4 doped directly with commercial metallic cerium, which may provide a much simplified process for a possible up-scaling preparation of this hydrogen storage material.

Ti decorated B8 as a potential hydrogen storage material: A DFT study with van der Waals corrections

2021 ◽  
Vol 765 ◽  
pp. 138277
Author(s):  
Pingping Liu ◽  
Yafei Zhang ◽  
Xiangjun Xu ◽  
Fangming Liu ◽  
Jibiao Li
Keyword(s):  
Hydrogen Storage ◽  
Van Der Waals ◽  
Dft Study ◽  
Hydrogen Storage Material ◽  
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.

ChemInform Abstract: Hydrazine Borane: A Promising Hydrogen Storage Material.

ChemInform ◽  
2009 ◽  
Vol 40 (36) ◽  
Author(s):  
Thomas Huegle ◽  
Moritz F. Kuehnel ◽  
Dieter Lentz
Keyword(s):  
Hydrogen Storage ◽  
Hydrogen Storage Material ◽  
Storage Material

Poly phenylenediamine and its TiO2 composite as hydrogen storage material

2011 ◽  
Vol 128 (3) ◽  
pp. 507-513 ◽  
Author(s):  
Mona H. Abdel Rehim ◽  
Nahla Ismail ◽  
Abd El-Rahman A.A. Badawy ◽  
Gamal Turky
Keyword(s):  
Hydrogen Storage ◽  
Hydrogen Storage Material ◽  
Storage Material
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