FIRST-PRINCIPLES STUDY OF Ti-CATALYZED HYDROGEN ADSORPTION ON LiB (001) SURFACE

2013 ◽  
Vol 12 (07) ◽  
pp. 1350065 ◽  
Author(s):  
WEIBIN ZHANG ◽  
AILING WU ◽  
YIDING LIU ◽  
SHAOLIN ZHANG ◽  
JIANHONG GONG ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Electronic Structures ◽  
Hydrogen Adsorption ◽  
Department Of Energy ◽  
Hydrogen Storage Material ◽  
Ambient Conditions ◽  
Storage Material ◽  
Practical Applications ◽  
Temperature And Pressure

Ti -doped LiB (001) is a promising material for hydrogen storage. The adsorption of H 2 is greatly enhanced by doping Ti into LiB (001), change the electronic structures of the surface Li , B atoms. After H 2 is adsorbed on the surface, the E ad of the ( H 2)n@ Ti / LiB (001) system is considered. It is around -0.22 eV/ H 2 to -0.31 eV/ H 2, which is close to the target specified by U.S. Department of Energy. The nature of the bonding between Ti and H 2 is due to the H 1s, Ti 4s and B 2s orbital hybridization. In addition, Ti 3d orbital is hybridized strongly with B -2p orbital, resulting in more stable Ti / LiB (001) system. These results are verified by the electron density distribution intuitively. It is found that the system can adsorb up to four H 2 at ambient temperature and pressure. Therefore, the Ti -doped LiB (001) would be a promising hydrogen storage material. Such optimal molecular hydrogen adsorption system makes H 2 adsorption feasible at ambient conditions, which is critical for practical applications.

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.

Intracell Hydrogen Adsorption-Transmission in a Co2P Solid Hydrogen-Storage Material

2016 ◽  
Vol 2016 (21) ◽  
pp. 3371-3375 ◽  
Author(s):  
Di Bao ◽  
Peng Gao ◽  
Chenliang Li ◽  
Guoxun Wu ◽  
Yanbo Wang ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
Hydrogen Adsorption ◽  
Solid Hydrogen ◽  
Hydrogen Storage Material ◽  
Storage Material

Li-decorated porous graphene as a high-performance hydrogen storage material: A first-principles study

2017 ◽  
Vol 42 (15) ◽  
pp. 10099-10108 ◽  
Author(s):  
Fengdi Wang ◽  
Tong Zhang ◽  
Xiaoying Hou ◽  
Wanqiao Zhang ◽  
Shuwei Tang ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
High Performance ◽  
Hydrogen Storage Material ◽  
Storage Material ◽  
Porous Graphene ◽  
First Principles Study

Hydrogen Storage Investigation of Fixed Bed of Nanocrystalline Mg-Ni-Cr Mixed Oxides

2013 ◽  
Vol 701 ◽  
pp. 179-183
Author(s):  
M. Abdus Salam ◽  
Suriati Sufian ◽  
Thanabalan Murugesan
Keyword(s):  
Hydrogen Storage ◽  
Storage Capacity ◽  
Mixed Oxides ◽  
Fixed Bed ◽  
Hydrogen Storage Material ◽  
Ambient Conditions ◽  
Storage Material ◽  
Hydrogen Storage Capacity ◽  
Adsorption Enthalpy ◽  
Icp Ms

nanocrystalline mixed oxides containing magnesium, nickel and chromium (MNCM) have been synthesized as an adsorbent using coprecipitation method and showed its reversible hydrogen storage capacity at ambient conditions using fixed bed. XRD and ICP-MS analyses ensured the adsorbents phase and homogeneity. The microstructure of mixed oxide has been investigated using FESEM and BET and TEM technique respectively. The adsorbent consisted of mesoporous surface with a surface area of 254-370 m2gm-1and SAED pattern showed that the adsorbents are poly-crystalline. The mixed oxides exhibited a 3.2 wt% H2storage capacity and release 57% of adsorbed H2. Adsorption enthalpy (H) and entropy (S) change of-27.58 kJ/mol and-70.21 J/mol.K are indicating favorable thermodynamics for reversible hydrogen storage material.

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