Small-Molecule Activation Driven by Confinement Effects

ACS Catalysis

Volumn 5, Issue 1, 2015, Pages 215-224

  Martinez De La Hoz, Julibeth M ^a   Balbuena, Perla B ^a  

^a Texas AandM University   (United States)

Author keywords

confined geometries; density functional theory; electron rich environments; methane activation; molecular dissociation; nanomaterials

Indexed keywords

BOND LENGTH; BOND STRENGTH (CHEMICAL); CHARGE TRANSFER; CHEMICAL ACTIVATION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRONS; FERMI LEVEL; METHANE; MOLECULAR DYNAMICS; MOLECULES; NANOCLUSTERS; NANOSTRUCTURED MATERIALS; PLATINUM; PORE SIZE; YARN;

AB INITIO MOLECULAR DYNAMICS SIMULATION; CONFINED GEOMETRIES; ELECTRON-RICH; METHANE ACTIVATION; MOLECULAR DISSOCIATION; PLATINUM NANO-CLUSTER; SMALL MOLECULE ACTIVATION; TEMPERATURE AND PRESSURES;

GRAPHENE;

EID: 84927704044     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/cs5013798     Document Type: Article

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