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

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

Interstitial hydrogen in Laves phases – local electronic structure modifications from first-principles

RSC Advances ◽  
2014 ◽  
Vol 4 (97) ◽  
pp. 54769-54774 ◽  
Author(s):  
Jana Radaković ◽  
Katarina Batalović ◽  
Ivan Mađarević ◽  
Jelena Belošević-Čavor
Keyword(s):  
Electronic Structure ◽  
Hydrogen Storage ◽  
First Principles ◽  
Formation Process ◽  
Hydrogen Storage Materials ◽  
Laves Phases ◽  
Storage Materials ◽  
Hydride Formation ◽  
Local Electronic Structure ◽  
Insight Into

Understanding the microscopic aspect of the hydride formation process provides an insight into the experimentally observed properties of prospective hydrogen storage materials.

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