Surface segregation energies in low-index open surfaces of bimetallic transition metal alloys

Surface Science

Volumn 603, Issue 1, 2009, Pages 91-96

  Nilekar, Anand Udaykumar ^a   Ruban, Andrei V ^b   Mavrikakis, Manos ^a  

^a University of Wisconsin Madison   (United States)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

Density functional theory; Green's function technique; Impurity calculation; Open facets; Surface segregation energy; Transition metals

Indexed keywords

CATALYSIS; CERIUM ALLOYS; DENSITY FUNCTIONAL THEORY; DIFFERENTIAL EQUATIONS; FUNCTIONS; GREEN'S FUNCTION; IMPURITIES; METALLIC COMPOUNDS; METALS; PROBABILITY DENSITY FUNCTION; SEGREGATION (METALLOGRAPHY); SURFACE CHEMISTRY; SURFACE SEGREGATION; SURFACE TENSION; TRANSITION METALS;

ACTIVE SITES; ATOMIC SPHERE APPROXIMATIONS; BCC TRANSITION METALS; BIMETALLIC CATALYSTS; CATALYTIC REACTIONS; ELECTROSTATIC POTENTIALS; GREEN'S FUNCTION TECHNIQUE; MULTIPOLE; OPEN FACETS; OPEN SURFACES; SEGREGATION ENERGIES; SURFACE ENERGIES; TRANSITION METAL IMPURITIES;

TRANSITION METAL ALLOYS;

EID: 58049185115     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2008.10.029     Document Type: Article

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