Adsorption of atomic and molecular oxygen on the SrTiO3(001) surfaces: Predictions by means of hybrid density functional calculations

Materials Research Society Symposium Proceedings

Volumn 894, Issue , 2006, Pages 295-300

  Piskunov, Sergei ^a,c   Zhukovskii, Yuri F ^a,c   Kotomin, Eugene A ^a,c   Heifets, Eugene ^b   Ellis, Donald E ^c  

^a UNIVERSITY OF LATVIA   (Latvia)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^c NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; DISSOCIATION; OXYGEN; PROBABILITY DENSITY FUNCTION; STRONTIUM COMPOUNDS; TITANIUM DIOXIDE;

DENSITY FUNCTIONAL CALCULATIONS; HARTREE-FOCK (HF) EXCHANGE; SURFACE MOLECULAR PEROXIDE;

MOLECULAR STRUCTURE;

EID: 33745390359     PISSN: 02729172     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

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