Related Products of 74-11-3, Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, 74-11-3, Name is 4-Chlorobenzoic acid, SMILES is O=C(O)C1=CC=C(Cl)C=C1, belongs to chlorides-buliding-blocks compound. In a article, author is Avila, M., introduce new discover of the category.
Energetics of chloride adlayers on Au(100) electrodes: Grand-canonical Monte Carlo simulations and ab-intio thermodynamics
Based on extensive DFT calculations for 84 different geometrical configurations of adlayers, we have investigated the adsorption of chlorine atoms on the unreconstructed Au(100) surface for different coverages. We have confirmed the stability of several structures observed in experiments. In particular, the stability of defective c(2 x 2) arrangements showing patches separated by domain boundaries has been established. We have developed a strategy to use DFT parameters in grand canonical Monte Carlo simulations. Both the simulations and ab-initio thermodynamics show structural changes with the electrochemical potential consistent with experiments. (C) 2020 Elsevier Ltd. All rights reserved.
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