journal article·2025-11

Anion adsorption-induced charge separation at the alumina/aluminum interface

Satoshi Hagiwara, Takuya Murata, Minoru Otani

Corrosion Science· Volume 256
Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Electronic and Structural Properties of Oxides · Ion-surface interactions and analysis · Surface and Thin Film Phenomena

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (67)

Show source-provided references
1. Corrosion inhibition of aluminium alloys by molybdate ions: a critical review of the chemistry, mechanisms and applications10.1016/j.corsci.2024.111854 ↗
2. A review of research on aluminum alloy materials in structural engineering10.1016/j.dibe.2023.100319 ↗
3. Advancements in corrosion protection for aerospace aluminum alloys through surface treatment
4. Chloride ion interactions with oxide-covered aluminum leading to pitting corrosion: a review10.1149/2.1011409jes ↗
5. Passivity breakdown, pit initiation and propagation of pits in metallic materials–review10.1016/j.corsci.2014.10.006 ↗
6. Impedance studies of the passive film on aluminium10.1016/j.corsci.2005.05.058 ↗
7. The relationships between anodic passivity, brightening and pitting10.1016/S0010-938X(65)90614-1 ↗
8. Localized corrosion of aluminum alloys—a review10.5006/1.3584905 ↗
9. Sequence of steps in the pitting of aluminum by chloride ions10.1016/S0010-938X(02)00231-7 ↗
10. Surface charge considerations in the pitting of ion-implanted aluminum10.1149/1.2095608 ↗
11. Chloride uptake by oxide covered aluminum as determined by X-ray photoelectron and X-ray absorption spectroscopy10.1149/1.1391835 ↗
12. Chloride ingress into aluminum prior to pitting corrosion an investigation by XANES and XPS10.1149/1.1393630 ↗
13. 2017 Wr whitney award: perspectives on chloride interactions with passive oxides and oxide film breakdown10.5006/2511 ↗
14. Inhomogeneous electron gas10.1103/PhysRev.136.B864 ↗
15. Self-consistent equations including exchange and correlation effects10.1103/PhysRev.140.A1133 ↗
16. Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: an overview10.1016/j.corsci.2015.01.037 ↗
17. Investigations of the intrinsic corrosion and hydrogen susceptibility of metals and alloys using density functional theory10.1515/corrrev-2020-0094 ↗
18. Corrosion inhibition performance of organic compounds and theoretical calculations based on density functional theory (DFT)10.1515/corrrev-2022-0112 ↗
19. Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states10.1103/PhysRevB.85.235438 ↗
20. Predictions of surface electrochemistry of saturated and alkaline NH4Cl solutions interacting with Fe (110) from ab initio calculations10.5006/0411 ↗
21. Selective solvent-induced stabilization of polar oxide surfaces in an electrochemical environment10.1103/PhysRevLett.120.066101 ↗
22. Oxidation versus salt-film formation: Competitive adsorption on a series of metals from first-principles10.1016/j.electacta.2018.02.150 ↗
23. First-principles approach to model electrochemical reactions: understanding the fundamental mechanisms behind Mg corrosion10.1103/PhysRevLett.120.246801 ↗
24. First-principles modeling of anisotropic anodic dissolution of metals and alloys in corrosive environments10.1016/j.actamat.2017.03.027 ↗
25. First-principles modeling of the hydrogen evolution reaction and its application in electrochemical corrosion of Mg10.1016/j.actamat.2019.11.025 ↗
26. First-principles study of surface orientation dependent corrosion of BCC iron10.1016/j.corsci.2021.110029 ↗
27. Ab initio study of the interaction of chlorides with defect-free hydroxylated NiO surfaces10.1016/j.corsci.2009.01.028 ↗
28. Ab initio modelling of localized corrosion: study of the role of surface steps in the interaction of chlorides with passivated nickel surfaces10.1016/j.corsci.2009.05.048 ↗
29. Electrochemical measurements and atomistic simulations of Cl–induced passivity breakdown on a Cu2o film10.1016/j.corsci.2018.02.057 ↗
30. A DFT-study of Cl ingress into α-Al2o3 (0001) and Al (111) and its possible influence on localized corrosion of Al10.1149/2.0161911jes ↗
31. First principles, explicit interface studies of oxygen vacancy and chloride in alumina films for corrosion applications10.1149/1945-7111/abe7a5 ↗
32. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
33. QMAS web site. https://qmas.jp/.
34. Ab initio calculations of electric-field-induced stress profiles for diamond/c-BN(110) superlattices10.1103/PhysRevB.76.153310 ↗
35. Bias-dependent surface stress by density functional theory combined with the effective screening medium method10.1103/PhysRevB.110.155409 ↗
36. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
37. Orientation relationships in heteroepitaxial aluminum films on sapphire10.1016/S0040-6090(96)09393-5 ↗
38. Adhesion, atomic structure, and bonding at the al (111)/α-al2o3(0001) interface: A first principles study10.1103/PhysRevB.65.085415 ↗
39. Oscillatory mass transport in vapor-liquid-solid growth of sapphire nanowires10.1126/science.1190596 ↗
40. Atomically abrupt liquid-oxide interface stabilized by self-regulated interfacial defects: The case of Al/Al2o3 interfaces10.1103/PhysRevLett.108.226105 ↗
41. Mechanism for limiting thickness of thin oxide films on aluminum10.1103/PhysRevLett.112.146103 ↗
42. First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach10.1103/PhysRevB.73.115407 ↗
43. Improved modeling of electrified interfaces using the effective screening medium method10.1103/PhysRevB.88.155427 ↗
44. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
45. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
46. The convergence of a class of double-rank minimization algorithms: 2. the new algorithm10.1093/imamat/6.3.222 ↗
47. A new approach to variable metric algorithms10.1093/comjnl/13.3.317 ↗
48. A family of variable-metric methods derived by variational means10.1090/S0025-5718-1970-0258249-6 ↗
49. Conditioning of quasi-Newton methods for function minimization10.1090/S0025-5718-1970-0274029-X ↗
50. Liquid-phase effects on adsorption processes in heterogeneous catalysis10.1021/jacsau.2c00389 ↗
51. A combined reaction path search and hybrid solvation method for the systematic exploration of elementary reactions at the solid–liquid interface10.1021/acs.jpclett.3c02233 ↗
52. Estimations of electric field effects on the oxygen reduction reaction based on the density functional theory10.1039/b705938h ↗
53. Bader Charge Analysis code was downloaded. https://theory.cm.utexas.edu/henkelman/code/bader/.
54. A fast and robust algorithm for bader decomposition of charge density10.1016/j.commatsci.2005.04.010 ↗
55. Accurate and efficient algorithm for bader charge integration10.1063/1.3553716 ↗
56. Theory of the oxidation of metals10.1088/0034-4885/12/1/308 ↗
57. Generalized Kohn-Sham schemes and the band-gap problem10.1103/PhysRevB.53.3764 ↗
58. Tuning the limiting thickness of a thin oxide layer on Al(111) with oxygen gas pressure10.1103/PhysRevLett.107.035502 ↗
59. Effect of oxygen gas pressure on the kinetics of alumina film growth during the oxidation of Al(111) at room temperature10.1103/PhysRevB.84.125445 ↗
60. Classification of chemical bonds based on topological analysis of electron localization functions10.1038/371683a0 ↗
61. Theoretical study of bulk and surface oxygen and aluminum vacancies in α- Al 2 o 310.1103/PhysRevB.69.064116 ↗
62. Passivity–the key to our metals-based civilization10.1351/pac199971060951 ↗
63. Growth kinetics and mechanisms of aluminum-oxide films formed by thermal oxidation of aluminum10.1063/1.1491591 ↗
64. On the kinetics of the breakdown of passivity of preanodized aluminum by chloride ions10.1149/1.2134003 ↗
65. Electrocatalytic mechanisms for an oxygen evolution reaction at a rhombohedral boron monosulfide electrode/alkaline medium interface10.1021/acsami.3c10548 ↗
66. Hybrid solvation models for bulk, interface, and membrane: Reference interaction site methods coupled with density functional theory10.1103/PhysRevB.96.115429 ↗
67. Development of a dielectrically consistent reference interaction site model combined with the density functional theory for electrochemical interface simulations