Chemistry: Electron localization determines defect formation on ceria substrates

Science

Volumn 309, Issue 5735, 2005, Pages 752-755

  Esch, Friedrich ^a   Fabris, Stefano ^b   Zhou, Ling ^c   Montini, Tiziano ^d,e   Africh, Cristina ^a,e,f   Fornasiero, Paolo ^d,e   Comelli, Giovanni ^a,e,f   Rosei, Renzo ^a,e,f  

^a LABORATORIO TASC   (Italy)

^b DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

^c LEIBNIZ UNIVERSITY HANNOVER   (Germany)

^d Chemistry Department   (Italy)

^e Center of Excellence for Nanostructured Materials (CENMAT)   (Italy)

^f UNIVERSITY OF TRIESTE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CERIA; ELECTRON LOCALIZATION; HIGH RESOLUTION SCANNING TUNNELING MICROSCOPY; OXIDATION PROCESSES;

CATALYSIS; ELECTRON ENERGY LEVELS; INTERFACES (MATERIALS); OXIDATION; RARE EARTH ADDITIONS; SCANNING TUNNELING MICROSCOPY;

CERIUM COMPOUNDS;

BUFFER; CERIUM; LANTHANIDE; OXIDE; OXYGEN;

MICROSCOPY; OXYGEN;

ARTICLE; DENSITY FUNCTIONAL THEORY; ELECTRON; ENZYME SUBSTRATE; OXIDATION; PRIORITY JOURNAL; REACTION ANALYSIS; REDUCTION; SCANNING TUNNELING MICROSCOPY;

EID: 23044467012     PISSN: 00368075     EISSN: None     Source Type: Journal    
DOI: 10.1126/science.1111568     Document Type: Article

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29. We thank M. Gerunda and P. Facci for providing the STM tips, and S. Baroni, S. de Gironcoli, M. Graziani, and F. Rosei for fruitful discussions and critical reading of the manuscript. S.F. thanks Consorzio Interuniversitario CINECA for computing time. Supported by the International Centre for Theoretical Physics (ICTP) Training and Research in Italian Laboratories (TRIL) program (L.Z.), INSTM, Sincrotrone Trieste ScpA, and Ministero dell'Istruzione, dell'Università e della Ricerca(MIUR) under the programs FIRB 2001 (grant RBNE0155X7), COFINLAB 2001 (grant CLAB013P24), and COFIN 2003.