Isomers and Conformers of H(NH2BH2)nH Oligomers:  Understanding the Geometries and Electronic Structure of Boron−Nitrogen−Hydrogen Compounds as Potential Hydrogen Storage Materials

2007 ◽  
Vol 111 (8) ◽  
pp. 3294-3299 ◽  
Author(s):  
Jun Li ◽  
Shawn M. Kathmann ◽  
Gregory K. Schenter ◽  
Maciej Gutowski
Keyword(s):  
Electronic Structure ◽  
Hydrogen Storage ◽  
Hydrogen Storage Materials ◽  
Storage Materials ◽  
Boron Nitrogen

Electronic structure of nanocrystalline and polycrystalline hydrogen storage materials

2008 ◽  
Vol 33 (2) ◽  
pp. 201-210 ◽  
Author(s):  
L. Smardz ◽  
M. Jurczyk ◽  
K. Smardz ◽  
M. Nowak ◽  
M. Makowiecka ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Hydrogen Storage ◽  
Hydrogen Storage Materials ◽  
Storage Materials

Development of the ReaxFFCBN reactive force field for the improved design of liquid CBN hydrogen storage materials

2016 ◽  
Vol 18 (3) ◽  
pp. 1818-1827 ◽  
Author(s):  
Sung Jin Pai ◽  
Byung Chul Yeo ◽  
Sang Soo Han
Keyword(s):  
Hydrogen Storage ◽  
Force Field ◽  
Reactive Force ◽  
Hydrogen Storage Materials ◽  
Liquid Carbon ◽  
Reactive Force Field ◽  
Storage Materials ◽  
Improved Design ◽  
Boron Nitrogen

ReaxFFCBN can be used for the improved design of liquid carbon–boron–nitrogen hydrogen-storage materials.

Atomic and electronic structure of hydrogen-related centers in hydrogen storage materials

2009 ◽  
Vol 404 (5-7) ◽  
pp. 793-797 ◽  
Author(s):  
Chris G. Van de Walle ◽  
A. Peles ◽  
A. Janotti ◽  
G.B. Wilson-Short
Keyword(s):  
Electronic Structure ◽  
Hydrogen Storage ◽  
Hydrogen Storage Materials ◽  
Storage Materials ◽  
Atomic And Electronic Structure

Blending materials composed of boron, nitrogen and carbon to transform approaches to liquid hydrogen stores

2016 ◽  
Vol 45 (14) ◽  
pp. 6196-6203 ◽  
Author(s):  
Sean M. Whittemore ◽  
Mark Bowden ◽  
Abhijeet Karkamkar ◽  
Kshitij Parab ◽  
Doinita Neiner ◽  
...  
Keyword(s):  
Liquid Phase ◽  
Hydrogen Storage ◽  
Liquid Hydrogen ◽  
Hydrogen Release ◽  
Thermally Stable ◽  
Hydrogen Storage Materials ◽  
Fuel Blend ◽  
Storage Density ◽  
Storage Materials ◽  
Boron Nitrogen

Mixtures of hydrogen storage materials are examined to find a ‘fuel blend’ that remains a liquid phase throughout hydrogen release, maximizes hydrogen storage density, minimizes impurities and is thermally stable.

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