First-principles insights into the chloride ion-mediated destabilization of cuprous oxide films in aqueous environment
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OpenAlex topics: Copper-based nanomaterials and applications · Catalytic Processes in Materials Science · Copper Interconnects and Reliability
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References (69)
Show source-provided references
1. Enhanced strength-ductility synergy in an ultra-strong copper alloy via coherent nanoprecipitates and stress-induced twinning10.1080/21663831.2024.2319927 ↗
2. Ultrahigh strength and improved electrical conductivity in an aging strengthened copper alloy processed by combination of equal channel angular pressing and thermomechanical treatment10.1007/s11771-024-5686-4 ↗
3. Thermal Conductivity of Low-Alloy Copper for Molds10.1134/S0036029518030035 ↗
4. High strength, ductility, and electrical conductivity of in-situ consolidated nanocrystalline Cu-1%Nb10.1016/j.msea.2017.11.060 ↗
5. Investigation on Thermal Conductivity Silver-coated Copper/GaInSn Composite Thermal Interface Materials
6. The copper matrix composite with "sandwich" structure and three-dimensional networks, showcasing significantly improved thermal conducting performance10.1016/j.ceramint.2024.05.415 ↗
7. In-Situ Fabrication, Microstructure and Mechanical Performance of Nano Iron-Rich Precipitate Reinforced Cu and Cu Alloys10.3390/met12091453 ↗
8. Corrosion Resistance of Cupronickels - An Overview10.1515/CORRREV.2000.18.1.65 ↗
9. In situ STM study of the duplex passive films formed on Cu(111) and Cu(001) in 0.1 M NaOH10.1016/S0010-938X(03)00140-9 ↗
10. In situ photoacoustic spectroscopy of thin oxide layers on metal electrodes. Copper in alkaline solution10.1021/j150604a025 ↗
11. Oxide Film Formation and Oxygen Adsorption on Copper in Aqueous Media As Probed by Surface-Enhanced Raman Spectroscopy10.1021/jp983787c ↗
12. XPS studies of anodic surface films on copper electrodes10.1149/1.2087008 ↗
13. Corrosion behavior of copper alloys in chloride media10.1016/j.matdes.2008.10.015 ↗
14. Studying localized corrosion using liquid cell transmission electron microscopy10.1039/C4CC06443G ↗
15. Pitting corrosion of copper in chloride solutions10.1108/00035590410512735 ↗
16. Surface study of films formed on copper and brass at open circuit potential10.1016/j.apsusc.2012.12.050 ↗
17. Some aspects of copper corrosion in presence of benzotriazole and chloride ions10.1016/j.corsci.2008.10.007 ↗
18. The effect of atmospherically formed films on copper corrosion properties using single droplet electrochemistry10.1016/j.electacta.2024.145444 ↗
19. Understanding atomic interaction between cuprous oxide film and aggressive chloride solution10.1016/j.corsci.2023.111718 ↗
20. Electrochemical measurements and atomistic simulations of Cl−-induced passivity breakdown on a Cu2O film10.1016/j.corsci.2018.02.057 ↗
21. Corrosion mechanism and corrosion behavior prediction of Cu-10Ni-X alloys in NaCl solution combining DFT calculation and experiments10.1016/j.corsci.2023.111671 ↗
22. Revealing the inner rules of PREN from electronic aspect by first-principles calculations10.1016/j.corsci.2021.109561 ↗
23. Correlation between pitting susceptibility and surface acidity, point of zero charge of passive film on aluminum: Influence of alloying elements10.1016/j.corsci.2023.111726 ↗
24. Co-Adsorption of H2O, OH, and Cl on Aluminum and Intermetallic Surfaces and Its Effects on the Work Function Studied by DFT Calculations10.3390/molecules24234284 ↗
25. Calculating the adsorption energy of a charged adsorbent in a periodic metallic system – the case of BH4− hydrolysis on the Ag(111) surface10.1039/D1CP03895H ↗
26. Substitutional adsorptions of chloride at grain boundary sites on hydroxylated alumina surfaces initialize localized corrosion10.1038/s41529-021-00161-w ↗
27. Mechanistic study of moisture corrosion of FeCr alloys in molten salts by ab-initio molecular dynamics simulations10.1038/s43246-024-00528-x ↗
28. Atomistic insights into chloride-induced depassivation mechanisms of protective Cu2O films in marine environments10.1016/j.corsci.2025.113171 ↗
29. In-situ Raman characterization of initial corrosion behavior of copper in neutral 3.5%(wt.) NaCl solution10.3390/ma12132164 ↗
30. VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code10.1016/j.cpc.2021.108033 ↗
31. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
32. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
33. Generalized Gradient Approximation Made Simple10.1103/PhysRevLett.77.3865 ↗
34. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu10.1063/1.3382344 ↗
35. Band theory and Mott insulators: Hubbard U instead of Stoner I10.1103/PhysRevB.44.943 ↗
36. Electronic correlation effects in transition-metal sulfides10.1088/0953-8984/15/6/325 ↗
37. Importance of reference Hamiltonians containing exact exchange for accurate one-shot GW calculations of Cu2O10.1103/PhysRevB.85.235142 ↗
38. A fast and robust algorithm for Bader decomposition of charge density10.1016/j.commatsci.2005.04.010 ↗
39. Molecular origin of negative component of Helmholtz capacitance at electrified Pt(111)/water interface10.1126/sciadv.abb1219 ↗
40. A unified formulation of the constant temperature molecular dynamics methods10.1063/1.447334 ↗
41. Canonical dynamics: Equilibrium phase-space distributions10.1103/PhysRevA.31.1695 ↗
42. Constant Temperature Molecular Dynamics Methods
43. First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion10.1103/PhysRevLett.120.246801 ↗
44. Establishment of the Potential of Zero Charge of Metals in Aqueous Solutions: Different Faces of Water Revealed by Ab Initio Molecular Dynamics Simulations10.1021/acs.jpcc.0c11089 ↗
45. Water Confined in Nanotubes and between Graphene Sheets: A First Principle Study10.1021/ja074418+ ↗
46. In Situ Scanning Tunneling Microscopy Study of the Anodic Oxidation of Cu(111) in 0.1 M NaOH10.1021/jp004012i ↗
47. DFT-Based Cu(111)||Cu2O(111) Model for Copper Metal Covered by Ultrathin Copper Oxide: Structure, Electronic Properties, and Reactivity10.1021/acs.jpcc.0c04453 ↗
48. The structure of metal-water interface at the potential of zero charge from density functional theory-based molecular dynamics10.1016/j.jelechem.2017.09.002 ↗
49. Density Functional Theory Study of the Initial Stages of Cl-Induced Degradation of α-Cr2O3 Passive Film10.1149/1945-7111/abb381 ↗
50. Nucleation and Repassivation of Corrosion Pits for Pitting on Iron and Nickel10.1002/maco.19760271106 ↗
51. Passivity–the key to our metals-based civilization10.1351/pac199971060951 ↗
52. Localized corrosion (pitting): A model of passivity breakdown including the role of the oxide layer nanostructure10.1016/j.corsci.2008.06.047 ↗
53. The behaviour of Cu-xNi (x = 10–40 wt%) alloys in alkaline solutions containing chloride ions10.1016/S0013-4686(96)00315-5 ↗
54. Effect of chloride concentration range on the corrosion resistance of Cu–xNi alloys10.1023/A:1003426701670 ↗
55. Understanding the adsorption of imidazole corrosion inhibitor at the copper/water interface by ab initio molecular dynamics10.1016/j.corsci.2024.112237 ↗
56. Penetration of corrosive species into copper exposed to simulated O2-free groundwater by time-of-flight secondary ion mass spectrometry (ToF-SIMS)10.1016/j.corsci.2022.110833 ↗
57. From Micro-environments to Macroscopic Effects: How the Alkaline Hydrogen Evolution Reaction Drives Cu Cathodic Corrosion10.1021/acscatal.4c07768 ↗
58. Chloride Ingress into Aluminum Prior to Pitting Corrosion An Investigation by XANES and XPS10.1149/1.1393630 ↗
59. High-Throughput Design of 2D Coating Materials for the Corrosion Protection of Copper10.1002/adfm.202423901 ↗
60. Chloride adsorption on Cu(111) electrodes in dilute HCl solutions10.1016/S0039-6028(96)01461-6 ↗
61. Sequence of steps in the pitting of aluminum by chloride ions10.1016/S0010-938X(02)00231-7 ↗
62. The entry of chloride ions into passive films on nickel studied by spectroscopic (ESCA) and nuclear (36Cl radiotracer) methods10.1016/0010-938X(93)90293-P ↗
63. Correlation mechanism between corrosion product film evolution and corrosion resistance for 70/30 Cu-Ni alloy combining DFT calculation and experiments10.1016/j.corsci.2025.113405 ↗
64. How Realistic Are Idealized Copper Surfaces? A Machine Learning Study of Rough Copper–Water Interfaces10.1021/acsmaterialsau.5c00174 ↗
65. Deactivation of copper electrocatalysts during CO2 reduction occurs via dissolution and selective redeposition mechanism10.1039/D4TA06466F ↗
66. Benchmarking water adsorption on metal surfaces with ab initio molecular dynamics10.1063/5.0205552 ↗
67. Adsorption and thermal stability of 2-mercaptobenzothiazole corrosion inhibitor on metallic and pre-oxidized Cu(111) model surfaces10.1016/j.apsusc.2019.145132 ↗
68. A ligand oxidation structure-adaptive strategy for copper passivation10.1038/s41467-025-62603-2 ↗
69. Effect of Plasma Pre-oxidation on the Cu Corrosion Inhibition in 3.5% NaCl by an Environmentally Friendly Amide10.20964/2018.09.07 ↗