Oxygen vacancy formation energy at the Pd/CeO2(111) interface

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 369, Issue 1-2, 2007, Pages 132-139

  Yang, Zongxian ^a   Lu, Zhansheng ^a   Luo, Gaixia ^a   Hermansson, Kersti ^b  

^a HENAN NORMAL UNIVERSITY   (China)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

Adsorption; Ceria; DFT; GGA + U; Pd

Indexed keywords

ADSORPTION; CATALYST ACTIVITY; CERIUM COMPOUNDS; CERIUM OXIDE; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; OXYGEN; PALLADIUM;

FIRST PRINCIPLES; GENERALIZED GRADIENT APPROXIMATIONS; GGA + U; LOWER TEMPERATURES; OXYGEN STORAGE CAPACITY; OXYGEN VACANCY FORMATION ENERGIES; PALLADIUM CATALYST; PROJECTOR AUGMENTED WAVES;

OXYGEN VACANCIES;

EID: 34548218701     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2007.04.068     Document Type: Article

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