Comments on the paper 'On the nature of inhibition performance of imidazole on iron surface' by J.O. Mendes, E.C. da Silva, A.B. Rocha

Autor:	Anton Kokalj
Rok vydání:	2013
Předmět:	Crystallography chemistry.chemical_compound Adsorption chemistry General Chemical Engineering Polymer chemistry Intermolecular force Imidazole General Materials Science General Chemistry Bond formation High coverage Adsorption energy
Zdroj:	Corrosion Science. 68:286-289
ISSN:	0010-938X
DOI:	10.1016/j.corsci.2012.11.011
Popis:	In the above paper [J.O. Mendes, E.C. da Silva, A.B. Rocha, Corros. Sci. 57 (2012) 254–259] Mendes et al. presented results of explicit DFT calculations about adsorption of imidazole and subsequent protective film formation on Fe(100) that is proposed to emerge due to intermolecular C–C bond formation between intact molecules at high coverage. A bold evidence is provided in these Comments that questions the validity of their results. In particular, it is claimed that their adsorption energy magnitudes are way too large by almost an order of magnitude and that the formation of protective film according to their proposed mechanism is unlikely.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::cb71614b65c07501273927105f87a074 https://doi.org/10.1016/j.corsci.2012.11.011 Zobrazit plný text záznamu Full Text from ScienceDirect