Toward understanding the adsorption mechanism of large size organic corrosion inhibitors on an Fe(110) surface using the DFTB method

Guo, Lei; Cheng-wei, QI; Zheng, Xingwen; Zhang, Renhui; Shen, Xun; Kaya, Savaş

doi:10.1039/c7ra04120a

Public

Toward understanding the adsorption mechanism of large size organic corrosion inhibitors on an Fe(110) surface using the DFTB method

Published in RSC Advances • Jan 1, 2017

Authors:

Lei Guo

QI Cheng-wei

Xingwen Zheng

Abstract

Compared with the conventional DFT approach, SCC-DFTB method is more effective to deal with the adsorption issues of large size organic corrosion inhibitors on metal surface.

Subject

Adsorption

Corrosion

Surface (topology)

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