Computational evaluation of multifunctional nanostructured inhibitors to control microbiologically influenced corrosion: DFT calculations and MD simulations

Corrosion inhibition mechanism of two multifunctional nanostructured inhibitors, including graphene oxide/silver nanostructure (GO-Ag) and carbon quantum dots/copper nanoparticles (CQDs-Cu) on API 5 L Grade X60 PSL2 surface (10 mm × 10 mm × 3 mm) was investigated by quantum chemical calculation and...

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Veröffentlicht in:	Journal of applied electrochemistry 2023-12, Vol.53 (12), p.2359-2373
Hauptverfasser:	Taghavi Kalajahi, S., Rezazadeh Mofradnia, S., Yazdian, F., Rasekh, B., Neshati, J., Taghavi, L.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Chemistry and Materials Science Copper Corrosion Corrosion inhibitors Corrosion mechanisms Diffusion coefficient Diffusion layers Electrochemistry Energy gap Graphene Industrial Chemistry/Chemical Engineering Mathematical analysis Molecular dynamics Nanoparticles Nanostructure Parameters Physical Chemistry Population distribution Quantum chemistry Quantum dots Research Article Silver Simulation
Online-Zugang:	Volltext
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