Empirical description of the role of electronegativity in alloy formation

Miedema, A.R.; Boer, F.R. de; Châtel, P.F. de

doi:10.1088/0305-4608/3/8/012

Cited by 318 publications

(85 citation statements)

References 46 publications

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“…In the following, expressions will be derived for these interfacial energies on the basis of the ''macroscopic atom'' approach. 11,[13][14][15][16] …”

Section: Energy Of Metal-substrate Oxide-film Interfacesmentioning

confidence: 99%

“…11,13,14,16,37 As for the crystalline-amorphous ͗M ͘-͕M O x ͖ interface, the chemical term is related to the interaction between the atoms of ͗M͘ and ͗M O x ͘ across the interface, whereas the structural term is related to the strain induced by the mismatch at the interface between the two adjacent crystalline phases ͗M͘…”

Section: B Energy Of the Crystalline-crystalline šM‹-šmo X ‹ Interfacementioning

confidence: 99%

“…The absence of grain boundaries and other lattice defects in the amorphous oxide reduce ionic migration through the oxide, 2,3,23 improve electronic properties ͑e.g., high dielectric strength and low leakage current͒ and increase corrosion resistance. 2,3,5,23 Moreover, due to the relatively large free volume 21,22 ͑iii͒ Adopting a ''macroscopic atom'' approach, 11,[13][14][15][16] thermodynamic parameters for a description of interfacial energies of metal metal-oxide systems can be well assessed.…”

Section: Stability Of Amorphous Aluminum-oxide Films On Crystallinmentioning

confidence: 99%

“…Therefore, expressions for these quantities are derived here on the basis of the ''macroscopic atom'' approach. 11,[13][14][15][16] The thermodynamic model is applied to the case of an aluminum-oxide film on the ͕111͖, ͕110͖, and ͕100͖ crystallographic faces of an aluminum substrate. In this case, the crystalline oxide ␥-Al 2 O 3 competes with the amorphous Al 2 O 3 oxide.…”

Section: Introductionmentioning

confidence: 99%

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Thermodynamic stability of amorphous oxide films on metals: Application to aluminum oxide films on aluminum substrates

et al. 2000

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It has been shown on a thermodynamic basis that an amorphous structure for an oxide film on its metal substrate can be more stable than the crystalline structure. The thermodynamic stability of a thin amorphous metal-oxide film on top of its single-crystal metal substrate has been modeled as a function of growth temperature, oxide-film thickness, and crystallographic orientation of the metal substrate. To this end, expressions have been derived for the estimation of the energies of the metal-substrate amorphous-oxide film interface and the metal-substrate crystalline-oxide film interface as a function of growth temperature, and crystallographic orientation of the substrate ͑including the effect of strain due to the lattice mismatch͒. It follows that, up to a certain critical thickness of the amorphous oxide film, the higher bulk Gibbs free energy of the amorphous oxide film, as compared to the corresponding crystalline oxide film, can be compensated for by the lower sum of the surface and interfacial energies. The predicted occurrence of an amorphous aluminum-oxide film on various crystallographic faces of aluminum agrees well with previous transmission electron microscopy observations.

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“…In the following, expressions will be derived for these interfacial energies on the basis of the ''macroscopic atom'' approach. 11,[13][14][15][16] …”

Section: Energy Of Metal-substrate Oxide-film Interfacesmentioning

confidence: 99%

Section: B Energy Of the Crystalline-crystalline šM‹-šmo X ‹ Interfacementioning

confidence: 99%

Section: Stability Of Amorphous Aluminum-oxide Films On Crystallinmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Thermodynamic stability of amorphous oxide films on metals: Application to aluminum oxide films on aluminum substrates

et al. 2000

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“…11,12) The agreement for preferable site occupation of the addition between the prediction and the experimental result was found to be excellent. Later, the same treatment has been conducted on L1 2 -type Co 3 Ti compound by Takasugi et al and was shown to be successful in predicting preferable site occupation of the addition.…”

Section: Introductionmentioning

confidence: 75%

Alloying Behavior of Ni<SUB>3</SUB>Nb

2010

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The site preference of ternary additions in Ni 3 Nb (D0 a ) was determined from the direction of solubility lobes of the GCP phases which were available from the reported ternary phase diagrams and constructed in the present work. It was shown that Cr, Co and Cu preferred the substitution for Ni-site, Ti, V, Hf, Ta and W the substitution for Nb-site, and Fe the substitution for both sites. The thermodynamic model, which was based on the change in total bonding energy of the host compound by a small addition of ternary solute, was applied to predict the site preference of ternary additions. The bond energy of each nearest neighbor pair used in the thermodynamic calculation was derived from the heat of compound formation by Miedema's formula. The agreement between the thermodynamic model and the experimental result was excellent. From both experimental and theoretical results, both the transition and B-subgroup elements have two possibilities, i.e., the case of substitution for Ni-site or the case of substitution for Nb-site, depending on the relative value of two interaction energies.

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Corrosion‐Resistant and High‐Entropic Non‐Noble‐Metal Electrodes for Oxygen Evolution in Acidic Media

et al. 2022

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carrier, in addition to the application of fuel cells operating on hydrogen-rich fuel. Water electrolysis driven by renewable energy is a promising technology [1][2][3] for hydrogen production with zero emission. Water electrolysis can be classified into the following types: alkaline, [4] proton exchange membrane (PEM), [5,6] and anion exchange membrane (AEM). [7,8] Compared to the other types, PEM-type water electrolysis is considered to be more ecofriendly and efficient because it generates no waste, produces highly pure H 2 gas (>99.9999 vol%), [9] and displays a high discharge H 2 pressure (3.0-7.6 MPa) [10] and a high current density (1.0-4.0 A cm −2 ) at low overpotentials (1.5-1.9 V). [3,6,10,11] In contrast, alkaline-and AEM-type water electrolysis produces H 2 with >99.5 vol% and >99.99 vol% purities, respectively. However, efficient electrocatalytic reactions in these systems require considerable amounts of noble metals, for example, 300 kg of Pt in the cathode and 700 kg of Ir in the anode per 1.0 GW of power input of the PEM-type electrolyzer. [11] The serious scarcity of noble metals, especially that of Ir (global production: ≈7 ton year −1 ), [11] To realize a sustainable hydrogen economy, corrosion-resistant non-noblemetal catalysts are needed to replace noble-metal-based catalysts. The combination of passivation elements and catalytically active elements is crucial for simultaneously achieving high corrosion resistance and high catalytic activity. Herein, the self-selection/reconstruction characteristics of multielement (nonary) alloys that can automatically redistribute suitable elements and rearrange surface structures under the target reaction conditions during the oxygen evolution reaction are investigated. The following synergetic effect (i.e., cocktail effect), among the elements Ti, Zr, Nb, and Mo, significantly contributes to passivation, whereas Cr, Co, Ni, Mn, and Fe enhance the catalytic activity. According to the practical water electrolysis experiments, the self-selected/reconstructed multi-element alloy demonstrates high performance under a similar condition with proton exchange membrane (PEM)-type water electrolysis without obvious degradation during stability tests. This verifies the resistance of the alloy to corrosion when used as an electrode under a practical PEM electrolysis condition.

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Empirical description of the role of electronegativity in alloy formation

Cited by 318 publications

References 46 publications

Thermodynamic stability of amorphous oxide films on metals: Application to aluminum oxide films on aluminum substrates

Thermodynamic stability of amorphous oxide films on metals: Application to aluminum oxide films on aluminum substrates

Alloying Behavior of Ni<SUB>3</SUB>Nb

Corrosion‐Resistant and High‐Entropic Non‐Noble‐Metal Electrodes for Oxygen Evolution in Acidic Media

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