An ab initio study of dissociative adsorption of H2 on FeTi surfaces

International Journal of Hydrogen Energy

Volumn 35, Issue 4, 2010, Pages 1681-1692

  Izanlou, A ^a   Aydinol, M K ^a  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

Author keywords

Ab initio study; Dissociative adsorption; FeTi; Hydrogen storage

Indexed keywords

AB INITIO PSEUDOPOTENTIALS; AB INITIO STUDY; ADSORPTION ENERGIES; ADSORPTION SITE; ATOM ADSORPTION; BRIDGE SITES; DISSOCIATIVE ADSORPTION; FE ATOMS; H ADSORPTION; HIGH SYMMETRY; HOLLOW SITES; NO ACTIVATION; NUDGED ELASTIC BAND METHODS; PLANE WAVE METHODS;

ADSORPTION; ATOMS; DISSOCIATION; HYDROGEN STORAGE; MOLECULES;

ACTIVATION ENERGY;

EID: 74449083064     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2009.12.136     Document Type: Article

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