Quantum chemical calculations and molecular dynamics simulations to investigate the mechanism of interaction of six dye levelers with copper surface
Xuyang Li, Peikun Zou, Xin Chen, Limin Wang
Topics & Concepts
ChemistryAdsorptionChemisorptionMolecular dynamicsQuantum chemicalChemical physicsCopperPhysical chemistryElectrostaticsComputational chemistrySurface chargeMoleculeThermodynamicsOrganic chemistryPhysicsnanoparticles nucleation surface interactionsCorrosion Behavior and InhibitionIon-surface interactions and analysis