Electronic structure engineering in heterogeneous catalysis: Identifying novel alloy catalysts based on rapid screening for materials with desired electronic properties

Topics in Catalysis

Volumn 55, Issue 5-6, 2012, Pages 376-390

  Xin, Hongliang ^a   Holewinski, Adam ^a   Schweitzer, Neil ^b   Nikolla, Eranda ^c   Linic, Suljo ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

^c Wayne State University   (United States)

Author keywords

Alloy; Density functional theory; Oxygen reduction reaction; Platinum; Rapid screening; Structure reactivity relationships; X ray absorption spectroscopy

Indexed keywords

ADSORPTION ENERGIES; ALLOY CATALYST; ALLOY SURFACES; ATOMIC RADIUS; CATALYTIC PERFORMANCE; CATALYTIC TRANSFORMATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; DESCRIPTORS; HIGH THROUGHPUT EXPERIMENTS; METAL ALLOYS; METAL SURFACES; OXYGEN REDUCTION REACTION; PHASE SPACES; PHYSICAL CHARACTERISTICS; QUANTUM-CHEMICAL CALCULATION; RAPID SCREENING; SPATIAL EXTENT; STRUCTURE ENGINEERING; STRUCTURE-REACTIVITY RELATIONSHIPS; VALENCE ORBITALS;

ADSORPTION; ALLOYS; CATALYSIS; CATALYSTS; CHEMICAL BONDS; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; ELECTROLYTIC REDUCTION; ELECTRONEGATIVITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; PHASE SPACE METHODS; PLATINUM; PLATINUM ALLOYS; QUANTUM CHEMISTRY; THROUGHPUT; X RAY ABSORPTION SPECTROSCOPY;

CERIUM ALLOYS;

EID: 84866142358     PISSN: 10225528     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11244-012-9794-2     Document Type: Conference Paper

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