Adsorption of atomic oxygen on cubic PbTiO3 and LaMnO 3 (001) surfaces: A density functional theory study

Surface Science

Volumn 604, Issue 21-22, 2010, Pages 1889-1893

  Pilania, G ^a   Ramprasad, R ^a  

^a UNIVERSITY OF CONNECTICUT   (United States)

Author keywords

Density functional theory; Oxygen adsorption; Perovskites

Indexed keywords

A-DENSITY; ADSORBED OXYGEN; ATOMIC OXYGEN; CUBIC PEROVSKITE; DENSITY FUNCTIONAL THEORY CALCULATIONS; DISSOCIATIVE ADSORPTION; ELECTRON DENSITY ANALYSIS; ELECTRONIC CHARGES; MOLECULAR SPECIES; OXYGEN ADSORPTION; OXYGEN ATOM; PEROVSKITE LATTICE; STRUCTURE AND ENERGETICS; SURFACE LATTICE; SURFACE TERMINATION; TIO;

ATOMS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; GAS ADSORPTION; LEAD OXIDE; PEROVSKITE; PHOTODISSOCIATION;

MOLECULAR OXYGEN;

EID: 77957168517     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2010.07.021     Document Type: Article

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