journal article·2024-02

Correlation between pitting susceptibility and surface acidity, point of zero charge of passive film on aluminum: Influence of alloying elements

Dihao Chen, Menglin Li, Xiaoqi Yue, Yucheng Ji, Yongtao Xu, Jinshan Pan, Chaofang Dong

Corrosion Science· Volume 227
Publisher page

Abstract

The pitting potential, intrinsic surface acidity, point of zero charge of passive film on Al are studied using first-principles calculations to establish their relationships. Influences of alloying elements Zn, Cr, Nb, Si, Mo and Sc on adsorption of NH 3 and NaCl, pH pzc of Al 2O 3 and pitting susceptibility of Al are investigated. The efficiency for enhancing pitting resistance of Al is evaluated, yielding the ratios Si: Zn: Cr: Mo: Nb: Sc = 1.8: − 0.3: 1: 1.9: 1.4: 0.2. A model for the dependence of pitting potential on the concentration of alloying elements in Al alloy matrix is developed, based on effects of alloying elements on the surface charge of passive film. The effects of Sc on pitting potential and pH pzc of Al oxide are predicted based on the calculated results, which are supported by electrochemical measurement, XPS analysis and contact angle titration.
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Research context

OpenAlex topics: Hydrogen embrittlement and corrosion behaviors in metals · Corrosion Behavior and Inhibition · Concrete Corrosion and Durability

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

References (78)

Show source-provided references
1. Passivity–the key to our metals-based civilization10.1351/pac199971060951 ↗
2. Surface charge considerations in the pitting of ion-implanted aluminum10.1149/1.2095608 ↗
3. The anodic behavior of ion beam mixed surface alloys10.1016/0010-938X(90)90075-G ↗
4. The corrosion behavior of Mo-Al, Cr-Al and Cr-Mo-Al surface alloys produced by ion beam mixing and ion implantation10.1016/0010-938X(91)90086-5 ↗
5. The protectivity of aluminum and its alloys with transition metals10.1007/s100080050019 ↗
6. The influence of tungsten alloying additions on the passivity of aluminum10.1149/1.2085404 ↗
7. Passive film structure of supersaturated Al-Mo alloys10.1149/1.2085392 ↗
8. Semiconductor aspects of the passive oxide film on aluminum as modified by surface alloying10.1016/S0010-938X(02)00095-1 ↗
9. A surface charge model of corrosion pit initiation and of protection by surface alloying10.1149/1.1392021 ↗
10. The effect of pH of zero charge on the pitting potential10.1149/1.2108708 ↗
11. Surface chemistry of sputter‐deposited Al‐Mo and Al‐Cr alloys polarized in 0.1N KCl10.1149/1.2096635 ↗
12. Fundamental aspects in the design of passive alloys, in, Pennsylvania State Univ., University Park, PA (United States)
13. In situ study on the effects of Ni and Mo on the passive film formed on Fe–20Cr alloys by photoelectrochemical and Mott–Schottky techniques10.1016/j.jelechem.2006.02.031 ↗
14. Revealing the inner rules of PREN from electronic aspect by first-principles calculations10.1016/j.corsci.2021.109561 ↗
15. The zero point of charge of oxides, The10.1021/j100812a002 ↗
16. The zero point of charge of alpha-alumina10.1016/0095-8522(64)90007-8 ↗
17. Estimation of the point of zero charge of simple oxides by mass titration10.1016/0021-9797(89)90086-6 ↗
18. Point of zero charge and surface charge density of TiO2 in aqueous electrolyte solution as obtained by potentiometric mass titration
19. Differential potentiometric titration: Development of a methodology for determining the point of zero charge of metal (hydr)oxides by one titration curve10.1021/es048139n ↗
20. Determination of the point-of-zero charge of manganese oxides with different methods including an improved salt titration method
21. The pH dependent surface charging and points of zero charge. VIII
22. Determination of the surface isoelectric point of oxide films on metals by contact angle titration10.1006/jcis.1997.5138 ↗
23. AES and LEED study of well-ordered oxide film grown on Cu–9at%Al(111)10.1002/sia.1610 ↗
24. Hydroxylation-induced modifications of the Al2O3/NiAl(001) surface at low water vapour pressure10.1016/j.susc.2005.02.034 ↗
25. Growth of thin, crystalline oxide, nitride and oxynitride films on metal and metal alloy surfaces10.1016/S0167-5729(99)00013-8 ↗
26. Structural study of anodic films formed on aluminum in nitric acid electrolyte10.1016/S0040-6090(02)00625-9 ↗
27. Atomistic Modeling of Corrosion Resistance: A First Principles Study of O2 Reduction on the Al(111) Surface Covered with a Thin Hydroxylated Alumina Film10.1002/admi.201300072 ↗
28. DFT modeling of corrosion inhibition by organic molecules: Carboxylates as inhibitors of aluminum corrosion10.1021/acs.jpcc.6b09578 ↗
29. Properties and mechanism of formation of α-alumina (Corundum) film by anodic oxidation of aluminium in bisulphate melts10.1016/0013-4686(59)85008-8 ↗
30. Ultrathin aluminum oxide films: Al-sublattice structure and the effect of substrate on ad-metal adhesion10.1016/S0039-6028(00)00578-1 ↗
31. The corrosive influence of chloride ions preference adsorption on α-Al2O3 (0001) surface10.1016/j.apsusc.2015.04.088 ↗
32. First-principles modeling of layer-defect of Al2O3 surface eroded by H2O and Cl−10.1016/j.jpcs.2017.06.006 ↗
33. 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 ↗
34. Effects of transition metal doping on surface properties and resistance to Cl− adsorption of α-Al2O310.1016/j.susc.2021.121909 ↗
35. Oxides and hydroxides of aluminum
36. On the mechanism of the passivity of aluminum and aluminum alloys10.1016/0022-0728(93)80186-L ↗
37. Self-consistent equations including exchange and correlation effects10.1103/PhysRev.140.A1133 ↗
38. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
39. Monkhorst · Spec. Points Brillouin-zone Integr. · 1976 · 13 · 5188
40. Improved grid-based algorithm for Bader charge allocation10.1002/jcc.20575 ↗
41. Adsorption of organic matter at mineral/water interfaces: I. ATR-FTIR spectroscopic and quantum chemical study of oxalate adsorbed at boehmite/water and corundum/water interfaces10.1016/j.gca.2004.04.025 ↗
42. DFT characterization of coverage dependent molecular water adsorption modes on α-Al2O3(0001)10.1016/j.susc.2007.10.029 ↗
43. First principles investigation of hydrogen adsorption and dissociation on Fe doped α-Al2O3 (0001) surface10.1016/j.jnucmat.2020.152102 ↗
44. Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies
45. Kinetics and adsorption behaviour of benzoate and phthalate at the α-alumina–water interface: Influence of functionality10.1016/j.colsurfa.2005.05.005 ↗
46. NH3 adsorption on the Lewis and Bronsted acid sites of MoO3 (0 1 0) surface: A cluster DFT study10.1016/j.apsusc.2013.10.105 ↗
47. A theoretical analysis of NH3 adsorption on TiO210.1016/0039-6028(96)00753-4 ↗
48. Isoelectric point of Al2O3, Cr2O3 and Fe2O310.1016/0021-9797(74)90167-2 ↗
49. Isoelectric points and points of zero charge of metal (hydr)oxides: 50 years after Parks' review10.1016/j.cis.2016.10.005 ↗
50. Some aspects in predicting the point of zero charge of a composite oxide system10.1016/0021-9797(88)90426-2 ↗
51. A characterization of the inhibiting effect of Cu on metastable pitting in dilute Al–Cu solid solution alloys10.1016/j.electacta.2006.08.054 ↗
52. Pitting potential of high purity binary aluminium alloys—II. AlMg and AlZn alloys10.1016/S0010-938X(77)80014-0 ↗
53. Effects of alloying elements on the pitting corrosion of aluminum10.2320/matertrans1960.13.345 ↗
54. The effect of phase compositions on the pitting corrosion of 25Cr duplex stainless steel in chloride solutions10.1016/0010-938X(96)00022-4 ↗
55. The electrochemical behaviour of 2205 duplex stainless steel in alkaline solutions with different pH in the presence of chloride10.1016/j.electacta.2012.01.025 ↗
56. Overview: high-nitrogen alloying of stainless steels10.1016/0921-5093(95)09991-3 ↗
57. A study of the structure of a passive film using angle-resolved X-ray photo-electron spectroscopy10.1016/0010-938X(96)81813-0 ↗
58. Corrosion-resistant amorphous aluminum alloys and structure of passive films10.1016/S0921-5093(96)10819-4 ↗
59. Passive film composition and stability of CoCrFeNi and CoCrFeNiAl high entropy alloys in chloride solution10.1016/j.matchemphys.2021.124582 ↗
60. The origin of passivity in aluminum-manganese solid solutions10.1016/j.corsci.2020.108749 ↗
61. Effects of alloying concentration on the aqueous corrosion and passivation of aluminum-manganese-molybdenum concentrated alloys10.1016/j.corsci.2022.110137 ↗
62. Raman and XPS depth profiling technique to investigate the corrosion behavior of FeSiAl alloy in salt spray environment10.1016/j.jallcom.2020.155075 ↗
63. The role of silicon in the corrosion of AA6061 aluminium alloy laser weldments10.1016/j.corsci.2010.02.012 ↗
64. Combined electrochemical impedance spectroscopy and X-ray photoelectron spectroscopy analysis of the passive films formed on 5083 aluminium alloy10.1016/j.corsci.2023.111337 ↗
65. Corrosion behavior of a bulk nanocrystalline Al-Fe alloy10.1016/j.corsci.2022.110727 ↗
66. Ahmed, Electrochemical evaluation of sodium metabisulfite as environmentally friendly inhibitor for corrosion of aluminum alloy 6061 in a chloride solution10.1016/j.jallcom.2015.01.003 ↗
67. Effect of annealing treatment on microstructure of micro arc oxidation ceramic film on Al-Mg-Sc alloy10.1016/j.matchar.2023.112991 ↗
68. Effects of mechanical and chemical pre-treatments on the morphology and composition of surfaces of aluminium alloys 7075-T6 and 2024-T310.1016/j.corsci.2017.02.018 ↗
69. The X-ray photoelectron spectra of inorganic molecules—VIII[1,2]: Compounds of scandium(III), scandium(III) oxide and complexes with organic oxygen donor molecules10.1016/0022-1902(74)80509-9 ↗
70. Characterization of Venezuelan laterites by X-ray photoelectron spectroscopy10.1016/S0368-2048(96)03035-6 ↗
71. Intercomparison of surface analysis of thin aluminium oxide films, Surface & Interface
72. Resolving surface chemical states in XPS analysis of first row transition metals, oxides and hydroxides: Sc, Ti, V, Cu and Zn10.1016/j.apsusc.2010.07.086 ↗
73. M.T. Brumbach, D.A. Casalnuovo, E.V. Barnat, C. Winters, C.S. Snow, A. Grillet, Surface chemistry of scandium, in, Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2018.
74. Surface isoelectric point of evaporated silver films: Determination by contact angle titration10.1016/0021-9797(91)90121-N ↗
75. Development of the general methodology for determining the point of zero charge of oxide films by contact angle titration10.1149/1945-7111/acedd2 ↗
76. Pitting corrosion of metals: A review of the critical factors10.1149/1.1838615 ↗
77. Pitting corrosion of aluminum10.1016/S0010-938X(99)00012-8 ↗
78. Localized corrosion: Passive film breakdown vs. pit growth stability: Part III. A unifying set of principal parameters and criteria for pit stabilization and salt film formation10.1149/2.0251811jes ↗