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Surface Science

Volumn 602, Issue 6, 2008, Pages 1199-1206

Facilitated vacancy formation at Zr-doped ceria(1 1 1) surfaces

(5) Yang, Zongxian a Wei, Yanwei a Fu, Zhaoming a Lu, Zhansheng a Hermansson, Kersti b

a HENAN NORMAL UNIVERSITY (China)

b UPPSALA UNIVERSITY (Sweden)

Author keywords

Atomic structure; Density functional calculations; DFT + U; Electronic structure; Zr doped ceria

Indexed keywords

COULOMB INTERACTIONS; CRYSTAL ATOMIC STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; OXYGEN VACANCIES;

ATOMIC STRUCTURE MODIFICATION; REDUCTION ENERGY; VACANCY FORMATION ENERGIES;

ZIRCON DEPOSITS;

EID: 40649109260 PISSN: 00396028 EISSN: None Source Type: Journal
DOI: 10.1016/j.susc.2008.01.013 Document Type: Article

Times cited : (75)

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