The roles of mercapto, benzene, and methyl groups in the corrosion inhibition of imidazoles on copper: II. Inhibitor–copper bonding

Kovačević, Nataša; Milošev, Ingrid; Kokalj, Anton

doi:10.1016/j.corsci.2015.05.041

Cited by 119 publications

(75 citation statements)

References 91 publications

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“…29 Therefore, active dissolution of iron will continue. It is generally accepted that the active dissolution of iron occurs via an oxide intermediate, possible Fe(OH) 2,ads or Fe(OH) 2 , which is not a three-dimensional oxide phase. 30 At sufficiently high potentials, the conversion of this oxide intermediate into a true three-dimensional passive oxide is favoured over its dissolution.…”

Section: 1 2 Potentiodynamic Polarization Curvesmentioning

confidence: 99%

“…Thiones are more stable than thiols and the corresponding energy differences, calculated at the PBE/plane-wave level of theory, are stated. 2 For mercapto molecules only the adsorption of thione tautomers is considered, because they are by about 0.5 eV mores stable than thiols (as standalone) and moreover because current calculations indicate that the two thiols dissociate barrier-less or almost so (S-H bond clevage) on Fe(110) during adsorption.…”

Section: 1 Experimental Determination Of Inhibition Efficiency Ofmentioning

confidence: 99%

“…The non-dissociative adsorption energy was calculated as: (2) where E MolH , E slab , and E MolH/slab are the total energies of isolated molecule, bare Fe(110) slab, and molecule/Fe(110) slab system, respectively. Considered molecules can dissociate on iron surface, hence the dissociative chemisorption was also considered, i.e.…”

Section: 1 Experimental Determination Of Inhibition Efficiency Ofmentioning

confidence: 99%

“…As a starting point and for the sake of comparison with previous publications of ours 2,[11][12][13][14] and those of others, 15,16 where the bonding of imidazoles with bare metal surfaces was characterized, we choose to elucidate the bonding of the current inhibitor molecules with the bare Fe(110), although the oxidized surface of iron is way more relevant in the context of corrosion under near-neutral pH conditions. Current calculations are therefore more relevant for the reduced patches at the surface, where the oxide film has been breached.…”

Section: Introductionmentioning

confidence: 99%

“…1,2 Electrochemical and immersion study, combined with topography and X-ray photoelectron spectroscopy (XPS) analyses, was carried out in chloride solution with and without the addition of various imidazole derivatives-imidazole (ImiH), 1-methyl-imidazole (ImiMe), benzimidazole (BimH), 2-mercapto-1-methyl-imidazole (SH-ImiMe), and 2-mercaptobenzimidazole (SH-BimH). 1 The skeleton structures of these inhibitors are presented in Fig.…”

Section: Introductionmentioning

confidence: 99%

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Effect of Mercapto and Methyl Groups on the Efficiency of Imidazole and Benzimidazole-based Inhibitors of Iron Corrosion

Milošev¹,

Kovačević²,

Kokalj³

2016

ACSi

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We report on the combined experimental and computational study of imidazole-and benzimidazole-based corrosion inhibitors containing methyl and/or mercapto groups. Electrochemical measurements and long-term immersion tests were performed on iron in NaCl solution, whilst computational study explicitly addresses the molecular level details of the bonding on iron surface by means of density functional theory calculations (DFT). Experimental data were the basis for the determination of inhibition efficiency and mechanism. Methyl group combined with mercapto group has a beneficial effect on corrosion inhibition at all inhibitor concentrations. The beneficial effect of mercapto group combined with benzene group is not so pronounced as when combined with methyl group. The latter is in stark contrast with the behaviour found previously on copper, where the effect of methyl group was detrimental and that of mercapto and benzene beneficial. Explicit DFT calculations reveal that methyl-group has a small effect on the inhibitor-surface interaction. In contrast, the presence of mercapto group involves the strong S-surface bonding and consequently the adsorption of inhibitors with mercapto group is found to be more exothermic.

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Section: 1 2 Potentiodynamic Polarization Curvesmentioning

confidence: 99%

Section: 1 Experimental Determination Of Inhibition Efficiency Ofmentioning

confidence: 99%

Section: 1 Experimental Determination Of Inhibition Efficiency Ofmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Effect of Mercapto and Methyl Groups on the Efficiency of Imidazole and Benzimidazole-based Inhibitors of Iron Corrosion

Milošev¹,

Kovačević²,

Kokalj³

2016

ACSi

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Methods of Corrosion Measurement

Lgaz

Subbiah

Park

et al. 2023

Grafted Biopolymers as Corrosion Inhibitors

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Preventing Vanishing Gradient Problem of Hardware Neuromorphic System by Implementing Imidazole‐Based Memristive ReLU Activation Neuron

Kim

Lee

et al. 2023

Advanced Materials

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With advances in artificial intelligent services, brain‐inspired neuromorphic systems with synaptic devices are recently attracting significant interest to circumvent the von Neumann bottleneck. However, the increasing trend of deep neural network parameters causes huge power consumption and large area overhead of a nonlinear neuron electronic circuit, and it incurs a vanishing gradient problem. Here, a memristor‐based compact and energy‐efficient neuron device is presented to implement a rectifying linear unit (ReLU) activation function. To emulate the volatile and gradual switching of the ReLU function, a copolymer memristor with a hybrid structure is proposed using a copolymer/inorganic bilayer. The functional copolymer film developed by introducing imidazole functional groups enables the formation of nanocluster‐type pseudo‐conductive filaments by boosting the nucleation of Cu nanoclusters, causing gradual switching. The ReLU neuron device is successfully demonstrated by integrating the memristor with amorphous InGaZnO thin‐film transistors, and achieves 0.5 pJ of energy consumption based on sub‐10 µA operation current and high‐speed switching of 650 ns. Furthermore, device‐to‐system‐level simulation using neuron devices on the MNIST dataset demonstrates that the vanishing gradient problem is effectively resolved by five‐layer deep neural networks. The proposed neuron device will enable the implementation of high‐density and energy‐efficient hardware neuromorphic systems.

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The roles of mercapto, benzene, and methyl groups in the corrosion inhibition of imidazoles on copper: II. Inhibitor–copper bonding

Cited by 119 publications

References 91 publications

Effect of Mercapto and Methyl Groups on the Efficiency of Imidazole and Benzimidazole-based Inhibitors of Iron Corrosion

Effect of Mercapto and Methyl Groups on the Efficiency of Imidazole and Benzimidazole-based Inhibitors of Iron Corrosion

Methods of Corrosion Measurement

Preventing Vanishing Gradient Problem of Hardware Neuromorphic System by Implementing Imidazole‐Based Memristive ReLU Activation Neuron

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