Theoretical Heterogeneous Catalysis: Scaling Relationships and Computational Catalyst Design

Annual Review of Chemical and Biomolecular Engineering

Volumn 7, Issue , 2016, Pages 605-635

  Greeley, Jeffrey ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

Catalyst design; Density functional theory; Descriptors; Heterogeneous catalysis; Scaling relationships; Volcano plots

Indexed keywords

BINDING ENERGY; CATALYSIS; CATALYSTS; COMPUTATION THEORY;

CATALYST DESIGNS; CATALYTIC INTERMEDIATES; CATALYTIC REACTIVITY; CONSERVATION PRINCIPLES; DESCRIPTORS; HETEROGENEOUS CATALYST; SCALING RELATIONSHIPS; VOLCANO PLOTS;

DENSITY FUNCTIONAL THEORY;

METAL; NANOPARTICLE; OXIDE;

CATALYSIS; CHEMISTRY; SURFACE PROPERTY; THEORETICAL MODEL;

CATALYSIS; METALS; MODELS, THEORETICAL; NANOPARTICLES; OXIDES; SURFACE PROPERTIES;

EID: 84973647737     PISSN: 19475438     EISSN: None     Source Type: Journal    
DOI: 10.1146/annurev-chembioeng-080615-034413     Document Type: Review

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