Understanding the Mechanism of 2-mercaptobenzimidazole Adsorption on Fe (110), Cu (111) and Al (111) Surfaces: DFT and Molecular Dynamics Simulations Approaches

Density functional theory (DFT) was carried out in order to establish which of the two forms of 2- mercaptobenzimidazole (2-MBI) (designated as 2-MBIthione and 2-MBIthiol) is actually responsible for the performance of 2-MBI as effective corrosion inhibitor for mild steel, copper, and aluminum. In t...

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Principais autores:	I.B. Obot, Z.M. Gasem, S.A. Umoren
格式:	Artigo
語言:	Inglês
出版:	Elsevier 2014-05-01
叢編:	International Journal of Electrochemical Science
主題:	Adsorption DFT 2-mercaptobenzimidazole Molecular Dynamics Simulations
在線閱讀:	http://www.sciencedirect.com/science/article/pii/S1452398123079336
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