Ligand-field theory-based analysis of the adsorption properties of ruthenium nanoparticles

ACS Nano

Volumn 7, Issue 11, 2013, Pages 9823-9835

  Del Rosal, Iker ^a   Mercy, Maxime ^a   Gerber, Iann C ^a   Poteau, Romuald ^a  

^a UNIVERSITÉ DE TOULOUSE   (France)

Author keywords

DFT; nanocatalysis; reactivity descriptors; ruthenium; Sabatier principle

Indexed keywords

CONCEPTUAL DFT APPROACH; DFT; FIRST PRINCIPLE CALCULATIONS; FRONTIER MOLECULAR ORBITALS; NANOCATALYSIS; REACTIVITY DESCRIPTORS; RUTHENIUM NANOPARTICLES; SABATIER PRINCIPLES;

DESIGN FOR TESTABILITY; LIGANDS; MOLECULAR ORBITALS; NANOPARTICLES; RUTHENIUM; TOPOLOGY;

ADSORPTION;

EID: 84888859330     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn403364p     Document Type: Article

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