Ionic and radical adsorption on the Au(hkl) surfaces: A DFT study

Surface Science

Volumn 606, Issue 1-2, 2012, Pages 69-77

  Pessoa, Ana M ^a   Fajín, José L C ^a   Gomes, José R B ^b   Cordeiro, M Natália D S ^a  

^a UNIVERSITY OF PORTO   (Portugal)

^b UNIVERSITY OF AVEIRO   (Portugal)

Author keywords

Density functional calculations; Effect of the exchange correlation functional; Ionic adsorption; Radical adsorption; Surface models

Indexed keywords

ADSORPTION SITE; AU(1 1 1 ); AU(100); AU(110); COORDINATION NUMBER; DFT STUDY; EFFECT OF THE EXCHANGE-CORRELATION FUNCTIONAL; EXPERIMENTAL EVIDENCE; GOLD ATOMS; GOLD SURFACES; IONIC ADSORPTION; NONIONIC; RADICAL ADSORPTION; STABLE ADSORPTION; SURFACE MODELS;

DENSITY FUNCTIONAL THEORY; GOLD; PARTICLE SIZE ANALYSIS;

ADSORPTION;

EID: 80255123325     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2011.08.023     Document Type: Article

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