What activates the Mg surface—A comparison of Mg dissolution mechanisms

Huang, Jufeng; Song, Guang‐Ling; Atrens, Andrej; Dargusch, Matthew S.

doi:10.1016/j.jmst.2020.03.060

Cited by 82 publications

(30 citation statements)

References 136 publications

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“…This is consistent with the research results reported in recent decades. 3,9 In contrast, there was no H 2 observed on the Mg 64 Zn 36 surface, presenting the same behavior with Zn. This is consistent with our previous result that the hydrogen evolution volume of Mg 64 Zn 36 remains 0 at OCP in 3.5% NaCl, even if it is anodically polarized at OCP + 0.1 V and OCP + 0.3 V. 28 It is noted that there was no flat region when the current density was low on the polarization curve of Mg 64 Zn 36 (see Figure 3a), indicating no passivation film formed on the surface as shown in Figure S2f,g.…”

Section: Resultsmentioning

confidence: 90%

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Achieving Ultrahigh Anodic Efficiency via Single-Phase Design of Mg–Zn Alloy Anode for Mg–Air Batteries

Xiao

Cao

Ying

et al. 2021

ACS Appl. Mater. Interfaces

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Magnesium−air battery has been considered promising for electrochemical energy storage or as a conversion device due to its high theoretical energy density and low cost. However, the experimental energy density is far lower than the theoretical value due to the intense hydrogen evolution of the Mg anode upon discharging. Herein, we have successfully developed a novel Mg 64 Zn 36 (at. %) alloy via single-phase design. The as-prepared Mg 64 Zn 36 anode possesses a high discharge specific capacity of 1302 ± 70 mAh g −1 and extraordinarily high efficiency of 94.8 ± 4.9%, which breaks the records of efficiency among all of the reported Mg anodes. The superior high efficiency is attributed to the anodic hydrogen evolution being inhibited by Zn alloying, which passivates the Mg matrix. The intermediate ion Mg + produced during discharging is dramatically limited by the integrated passive film and is totally converted into Mg 2+ electrochemically through the film. Meanwhile, the uniform discharging products due to the homogeneous microstructure of Mg 64 Zn 36 co-contribute to the high efficiency. The design of the Mg−Zn alloy may open a new avenue for the development of Mg−air batteries.

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Section: Resultsmentioning

confidence: 90%

“…8 The k value is between 0 and 1 (0 ≤ k ≤ 1), corresponding to the ratio of the rate of reaction 3 and the rate of the total process (i.e., reactions 3 and 4). 9 As reaction 4 can only occur in a film-free area, an integrated passive film may lead to k → 1.…”

Section: Introductionmentioning

confidence: 99%

Achieving Ultrahigh Anodic Efficiency via Single-Phase Design of Mg–Zn Alloy Anode for Mg–Air Batteries

Xiao

Cao

Ying

et al. 2021

ACS Appl. Mater. Interfaces

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“…It is seem from the data in the Table that addition of DH to the corrosion medium increases the value of E a continuously as the concentration of the DH increases. E a is important as the energy barrier for the corrosion to take place on the metal surfaces [26] . The energy barrier increases, on increasing the concentration of the inhibitor, resulting in a reduction in the corrosion rate.…”

Section: Resultsmentioning

confidence: 99%

“…The surface film also increases the protection of the metal and in turn the inhibition efficiency, as the long‐chain alkyl groups impart hydrophobicity to the surfactant film which repels the aqueous salt solution. Thus, the overall admittance of Na 2 SO 4 to the alloy surface decreases [26,45] …”

Section: Resultsmentioning

confidence: 99%

Exploring the Corrosion Inhibition Properties of an Anionic Gemini Surfactant Based on an Ethylenediaminetetraacetic Acid Derivative on AZ31 Alloy

Acharya

Shetty

2021

ChemistrySelect

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Novel sodium 2,2′‐(7,16‐dihexyl‐8,15‐dioxo‐7,10,13,16‐tetraazadocosane‐10,13‐diyl)diacetate was prepared by treating ethylenediaminetetraacetic acid dianhydride with N‐dihexylamine. The surfactant was used as a corrosion inhibitor on AZ31 alloy. FT‐IR spectroscopy, NMR spectroscopy and LC‐MS techniques were used to characterize the synthesized anionic inhibitor. The theoretical studies, performed by using the DFT simulations revealed in‐depth information on the frontier molecular orbitals and electronic properties of the inhibitor. Potentiodynamic polarization and electrochemical impedance spectroscopy methods were used to determine the corrosion inhibition ability of the synthesized surfactant. The adsorption of the surfactant on the surface of AZ31 Mg alloy obeyed Langmuir isotherm with predominantly physical adsorption and partial chemisorption. SEM‐EDX and XPS were used to understand the surface morphologies of the corroded AZ31 alloy. The quantum chemical simulations were used to get the correlation between their structural, molecular geometry, and experimental results.

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“…The combination of a cracked, porous and unprotective film with the localised nature of Mg corrosion leads to the reasonable assumption that there are regions on the surface where water can effectively access the bare metal. 11 Thus, the bare metal/water interface is expected to be a good model for the region where many key reactions take place, and is generally the model used when calculating relevant reaction pathways. [12][13][14][15][16][17][18][19][20] As a result, it is important to gain an understanding of the metastable structure and interactions at the Mg/water interface as it essentially represents the starting structure for many important reactions in the aqueous corrosion process.…”

Section: Introductionmentioning

confidence: 99%

Structure and interactions at the Mg(0001)/water interface: An ab initio study

Fogarty

Harrison

et al. 2022

The Journal of Chemical Physics

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A molecular level understanding of metal/bulk water interface structure is key for a wide range of processes including aqueous corrosion, our focus, but their buried nature makes experimental investigation difficult and means we must mainly rely on simulations. We investigate the Mg(0001)/water interface using second generation Car-Parrinello molecular dynamics (MD) to gain structural information, combined with static density functional theory calculations to probe the atomic interactions and electronic structure (e.g calculating the potential of zero charge). By performing detailed structural analyses of both metal-surface atoms and the near-surface water we find, amongst other insights: i) water adsorption causes significant surface roughening, ii) strongly adsorbed water covers only one quarter of available surface sites and iii) adsorbed water avoids clustering on the surface. Static calculations are used to gain a deeper understanding of the structuring observed in MD. For example, we use an energy decomposition analysis combined with calculated atomic charges to show adsorbate clustering is unfavorable due to Coulombic repulsion between adsorption site surface atoms. Results are discussed in the context of previous simulations of metal/water interfaces. The largest differences for the Mg(0001)/water system appear to be the high degree of surface distortion and minimal difference between the metal work function and metal/water potential of zero charge. The structural information in this paper is important for understanding aqueous Mg corrosion, as the Mg(0001)/water interface is the starting point for key reactions. Furthermore, our focus on understanding the driving forces behind this structuring leads to important insights for general metal/water interfaces.

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What activates the Mg surface—A comparison of Mg dissolution mechanisms

Cited by 82 publications

References 136 publications

Achieving Ultrahigh Anodic Efficiency via Single-Phase Design of Mg–Zn Alloy Anode for Mg–Air Batteries

Achieving Ultrahigh Anodic Efficiency via Single-Phase Design of Mg–Zn Alloy Anode for Mg–Air Batteries

Exploring the Corrosion Inhibition Properties of an Anionic Gemini Surfactant Based on an Ethylenediaminetetraacetic Acid Derivative on AZ31 Alloy

Structure and interactions at the Mg(0001)/water interface: An ab initio study

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