Origin of the energy barrier to chemical reactions of O 2 on Al(111): Evidence for charge transfer, not spin selection

Physical Review Letters

Volumn 109, Issue 19, 2012, Pages

  Libisch, Florian ^a   Huang, Chen ^b   Liao, Peilin ^a   Pavone, Michele ^a,c   Carter, Emily A ^a  

^a PRINCETON UNIVERSITY   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATED ELECTRONS; CORRELATED WAVE FUNCTIONS; DISSOCIATIVE ADSORPTION; INCIDENT ENERGY; METAL SURFACES; OXYGEN ATOM; REACTION PATHWAYS; SINGLE OXYGEN ATOM; SPIN SELECTION; SUBSTANTIAL ENERGY;

ADSORPTION; CHARGE TRANSFER; ENERGY BARRIERS; OXYGEN; PHOTODISSOCIATION; QUANTUM CHEMISTRY; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 84869020076     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.109.198303     Document Type: Article

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