Exploring the catalytic activity of a noble metal: The Ag catalyzed ethylene epoxidation reaction

Properties of Single Organic Molecules on Crystal Surfaces

Volumn , Issue , 2006, Pages 389-424

  Bocquet, Marie Laure ^a   Michaelides, Angelos ^b  

^a UNIVERSITÉ DE LYON   (France)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Ab initio phase diagram; Atomic scale characterization; Catalytic cycle; Catalytic reactivity; DFT slab calculations; Epoxidation mechanism; Epoxidation reaction; 111 cleaved silver; Free energy; Non stoichiometry; Oxametallacycle intermediate; Oxygen adatoms; Site specificity; STM simulations; Surface oxide; Surface structure; Transition state

Indexed keywords

ADATOMS; ATOMS; CALCULATIONS; CATALYSIS; CATALYST ACTIVITY; CATALYTIC OXIDATION; DENSITY FUNCTIONAL THEORY; EPOXIDATION; ETHYLENE; FREE ENERGY; OXIDATION; PHASE DIAGRAMS; PHASE TRANSITIONS; PRECIOUS METALS; REACTION INTERMEDIATES; SCANNING TUNNELING MICROSCOPY; SILVER; SURFACE STRUCTURE; THERMODYNAMICS;

AB INITIO; ATOMIC SCALE; CATALYTIC CYCLES; CATALYTIC REACTIVITY; DFT SLAB CALCULATIONS; EPOXIDATION MECHANISM; EPOXIDATION REACTIONS; NON STOICHIOMETRY; OXAMETALLACYCLE INTERMEDIATES; OXYGEN ADATOMS; SITE-SPECIFICITY; STM SIMULATIONS; SURFACE OXIDE; TRANSITION STATE;

SILVER COMPOUNDS;

EID: 84967361622     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1142/9781860948053_0014     Document Type: Chapter

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