Publication | Open Access
Toward understanding the adsorption mechanism of large size organic corrosion inhibitors on an Fe(110) surface using the DFTB method
262
Citations
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References
2017
Year
EngineeringOrganic ChemistryChemistryDftb MethodCorrosion InhibitionChemical EngineeringCorrosionAnalytical ChemistryMetal-organic PolyhedronMaterials ScienceInorganic ChemistryAdsorption MechanismAdsorption IssuesChemisorptionCatalysisAdsorptionElectrochemistrySurface ChemistrySurface ScienceScc-dftb MethodSurface ReactivityConventional Dft Approach
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.
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