2022
DOI: 10.1016/j.colsurfa.2022.129816
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Nicotinic acid as a novel inhibitor for alkaline cobalt CMP: Experiment and molecular simulation

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Cited by 13 publications
(2 citation statements)
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“…52 Subsequently, the absolute electronegativity (χ) and overall hardness (η) were determined by utilizing the first vertical ionization energy and electron density of the chemical substance. 15 Finally, the electron transfer fraction (ΔN) between the Fmoc-Met-OH molecule and Cu surface was estimated. The equations for calculation, along with their corresponding results, have been delineated in Table IV.…”
Section: = ( ) [ ] Zmentioning
confidence: 99%
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“…52 Subsequently, the absolute electronegativity (χ) and overall hardness (η) were determined by utilizing the first vertical ionization energy and electron density of the chemical substance. 15 Finally, the electron transfer fraction (ΔN) between the Fmoc-Met-OH molecule and Cu surface was estimated. The equations for calculation, along with their corresponding results, have been delineated in Table IV.…”
Section: = ( ) [ ] Zmentioning
confidence: 99%
“…The density functional theory (DFT) and molecular dynamics (MD) have been used as significant means of investigating molecular chemical activity and adsorption energy, which apply first-principles calculations and simulations to reveal the microscopic mechanisms involved in chemical reactions, thus providing new perspectives on chemical research. [14][15][16] Zhang et al 17 studied the corrosion inhibition of carbon steel by L-methionine (MIT) and its derivatives in an acidic solution and described the atomic-level inhibition mechanism on the Fe (110) substrate in combination with chemical experimental analysis and MD simulations. At the same time, Zhang et al 18 also employed quantum chemical calculation and dynamic simulation to compare the inhibition capabilities of Met and proline (Pro) on carbon steel.…”
mentioning
confidence: 99%