Vibrational frequencies of CO on Pt(1 1 1) in electric field: A periodic DFT study

Journal of Electroanalytical Chemistry

Volumn 607, Issue 1-2, 2007, Pages 140-146

  Lozovoi, A Y ^a   Alavi, A ^b  

^a QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Ab initio; Carbon monoxide; Platinum; Stark shift; Vibration

Indexed keywords

ADSORPTION; DENSITY FUNCTIONAL THEORY; ELECTRIC FIELDS; ELECTROCHEMICAL CELLS; PLATINUM COMPOUNDS; VIBRATIONAL SPECTRA;

AB INITIO CALCULATIONS; DFT CALCULATIONS; PERIODIC SUPERCELLS; STRETCHING FREQUENCY;

CARBON MONOXIDE;

EID: 34547476688     PISSN: 15726657     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jelechem.2007.02.030     Document Type: Article

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