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Catalysis Letters

Volumn 142, Issue 10, 2012, Pages 1211-1217

Vacancy-driven surface segregation in Ni xMg 1-xO(100) solid solutions from first principles calculation

(2) Torres, Daniel a Liu, Ping a

a BROOKHAVEN NATIONAL LABORATORY (United States)

Author keywords

DFT; Mixed oxides; NiO MgO; Oxygen vacancy; Segregation

Indexed keywords

ACTIVE COMPONENTS; ACTIVE SITE; CARBON DEPOSITION; CATALYTIC MATERIALS; CATALYTIC REACTIONS; DFT; DRY REFORMING-OF-METHANE; FIRST-PRINCIPLES CALCULATION; MGO; MIXED OXIDE; NI IONS; NI NANOPARTICLES; NICKEL-BASED CATALYST; NIO-MGO; REDUCING CONDITIONS; STRONG INTERACTION; STRUCTURAL CHANGE; SUBSURFACE LAYER; SYN-GAS;

ADSORPTION; CARBON; CARBON DIOXIDE; CATALYSIS; CATALYST ACTIVITY; CATALYST DEACTIVATION; DENSITY FUNCTIONAL THEORY; IONS; OXYGEN VACANCIES; SEGREGATION (METALLOGRAPHY); SOLID SOLUTIONS; SURFACE SEGREGATION; SYNTHESIS GAS;

NICKEL;

EID: 84868377584 PISSN: 1011372X EISSN: 1572879X Source Type: Journal
DOI: 10.1007/s10562-012-0894-1 Document Type: Article

Times cited : (11)

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