A DFT study of the chemisorption of methoxy on clean and low oxygen precovered Ru(0 0 0 1) surfaces

Surface Science

Volumn 601, Issue 12, 2007, Pages 2473-2485

  Cordeiro, M Natália D S ^a   Pinto, Ana S S ^a   Gomes, José A N F ^a  

^a Campus Universitário de Santiago   (Portugal)

Author keywords

Chemisorption; Density functional calculations; Effect of ad atoms; Radical methoxy

Indexed keywords

BONDING; CHARGE TRANSFER; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; RUTHENIUM; VALENCE BANDS; VIBRATIONAL SPECTRA;

EFFECT OF AD-ATOMS; ELECTRONEGATIVE OXYGEN; MODIFIED SURFACES; RADICAL METHOXY;

SURFACES;

EID: 34249930351     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2007.04.168     Document Type: Article

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