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Journal of Chemical Physics

Volumn 133, Issue 20, 2010, Pages

Transition from Mn4 to Mn3 induced by surface reconstruction at λ-MnO2(001)

(3) Ouyang, C Y a,b Sljivancanin Z b Baldereschi, A b,c

a JIANGXI NORMAL UNIVERSITY (China)

b INSTITUT ROMAND DE RECHERCHE NUMÉRIQUE EN PHYSIQUE DES MATÉRIAUX IRRMA (Switzerland)

c UNIVERSITY OF TRIESTE (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COORDINATION NUMBER; ENERGY GAIN; MN IONS; OXIDATION STATE; SMOOTH SURFACE; SPONTANEOUS PROCESS; SURFACE UNITS;

ACTIVATION ENERGY; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; MANGANESE; MANGANESE OXIDE; OXIDATION; OXYGEN;

SURFACE RECONSTRUCTION;

EID: 78650165393 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3509401 Document Type: Article

Times cited : (19)

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