Stability of a hydrogen molecule in a vacancy of palladium hydrides

International Journal of Hydrogen Energy

Volumn 37, Issue 17, 2012, Pages 12351-12357

  He, J H ^a   Dechiaro, L F ^b   Knies, D L ^c   Hubler, G K ^c   Grabowski, K S ^c   Moser, A E ^a   Dominguez, D D ^c   Kidwell, D A ^c   Hagelstein, P L ^d  

^a NOVA RESEARCH INC   (United States)

^b NAVAL SURFACE WARFARE CENTER   (United States)

^c NAVAL RESEARCH LABORATORY   (United States)

^d MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Hydrogen molecule; Palladium hydride; Vacancy

Indexed keywords

AB INITIO CALCULATIONS; BETA-PHASE; ENERGY WELLS; HIGH ENERGY STATE; HYDROGEN MOLECULE; INTERSTITIAL SITES; LOADING RATIO; LOCAL ENERGY MINIMA; PALLADIUM HYDRIDE;

ELECTRON ENERGY LEVELS; HYDROGEN; MOLECULES; SEPARATION; VACANCIES;

LOADING;

EID: 84865026571     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2012.05.035     Document Type: Article

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