How Organic Additives Control Zn-Ni Alloy Coatings at the Molecular Level
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How do organic additives control the electrodeposition of Zn-Ni alloys at the atomic scale? In our latest study published in the Russian Journal of General Chemistry, we combined DFT and Molecular Dynamics simulations to compare saccharin, SDS, sodium citrate, and 2-butyne-1,4-diol on Fe(110) surfaces. While sodium citrate exhibits the highest theoretical reactivity, SDS provides the strongest surface binding energy. Check out the full paper for details on optimizing additive formulations! https://link.springer.com/article/10.1134/S1070363225608579 Density Functional Theory and Molecular Dynamics Study of Organic Additives for Electrodeposited Zn-Ni Alloys#Electrochemistry #ComputationalChemistry #DFT #MolecularDynamics #CorrosionProtection #Electrodeposition #MaterialsScience submitted by /u/No-Willingness-635 |
