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Volumn 37, Issue 19, 2012, Pages 14937-14944

Oxygen vacancy formation on the Ni/Ce 0.75Zr 0.25O 2(111) surface. A DFT+U study

Author keywords

Ce 0.75Zr 0.25O 2; DFT+U; Ni CeO 2 ZrO 2; O vacancy

Indexed keywords

BRIDGE SITES; CARBON DEPOSITION; CATALYTIC ROLE; DENSITY FUNCTIONAL THEORIES (DFT); DENSITY OF STATE; HUBBARD; HYDROGEN PRODUCTION PROCESS; IONIC MOBILITY; MIXED OXIDE; NI PARTICLES; O-VACANCY; PARTIAL OXIDATIONS; PHASE RESISTANCE; SPIN-POLARIZED; SUBSURFACE LAYER; VACANCY FORMATION;

EID: 84866106090     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2011.12.079     Document Type: Conference Paper
Times cited : (16)

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