The inhibition efficiencies of some organic corrosion inhibitors of iron: An insight from density functional theory study
Ziyu Liu, Dan Wang, Dian-Tao Li, Hongqiang Wang
Topics & Concepts
BenzotriazoleChemistryAdsorptionDensity functional theoryCorrosionComputational chemistryMoleculeCorrosion inhibitorTime-dependent density functional theoryHOMO/LUMOAcceptorInorganic chemistryPhysical chemistryChemical physicsOrganic chemistryCondensed matter physicsPhysicsCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityHydrogen embrittlement and corrosion behaviors in metals