Abstract
With DFTB simulations, we explore the corrosion inhibition influence of the two monoterpenes, thymol, and carvacrol on the α-Fe(110) surface. The investigation of the corrosion inhibition process is performed by analyzing the structural and electronic properties of the adsorbate-adsorbent systems involved. The results obtained in this article provide new insights into using natural organic systems as possible corrosion inhibitors.
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