DFT study of the adsorption of the corrosion inhibitor 2-mercaptoimidazole onto Fe(1 0 0) surface

Electrochimica Acta

Volumn 112, Issue , 2013, Pages 577-586

  Radilla, Juan ^a   Negrón Silva, Guillermo E ^a   Palomar Pardavé, Manuel ^a   Romero Romo, Mario ^a   Galván, Marcelo ^b  

^a UNIVERSIDAD AUTÓNOMA METROPOLITANA AZCAPOTZALCO   (Mexico)

^b DEPARTAMENTO DE QUÍMICA   (Mexico)

Author keywords

2 Mercaptoimidazole; Adsorption energy; Corrosion inhibitor; DFT; Fe(1 0 0)

Indexed keywords

2-MERCAPTOIMIDAZOLE; ADSORPTION ENERGIES; ADSORPTION GEOMETRIES; COORDINATION NUMBER; DFT; DISSOCIATION PROCESS; PLANE WAVE METHODS; QUANTUM-MECHANICAL CALCULATION;

CORROSION INHIBITORS; DISSOCIATION; INTERFACIAL ENERGY; MOLECULES; WORK FUNCTION;

ADSORPTION;

EID: 84884927150     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2013.08.151     Document Type: Article

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