Dehydrogenation, polymerization and self-assembly in the inhibition of copper surfaces by an ultrathin imidazole film
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Abstract
The authors acknowledge the generous allocation of computer time at the Centro de Computaci\u00F3n Cient\u00EDfica at the Universidad Aut\u00F3noma de Madrid (CCC-UAM) and the Spanish Supercomputing Network/Red Espa\u00F1ola de Supercomputaci\u00F3n (RES). The authors also acknowlegde (particularly M.P.H. and M.H.F.) financial support for this work through a research project funded by Programa de Estancias de investigaci\u00F3n (PREI) from Programa de Apoyo a Proyectos de Investigaci\u00F3n e Innovaci\u00F3n Tecnol\u00F3gica (PAPIIT) of Direcci\u00F3n de Asuntos del Personal Acad\u00E9mico (DGAPA) of Universidad Nacional Aut\u00F3noma de M\u00E9xico (UNAM). M.P.H acknowledges the funding from Plan Nacional de Ciencias B\u00E1sicas (PNCB)-PN223LH010-045 supported by CITMA (Cuban Ministry of Science and Environment). This work was partially supported by MICINN (Spanish Ministry of Science and Innovation) project PID2022-138470NB-I00 funded by MCIN/AEI/10.13039/501100011033, and the \u201CMar\u00EDa de Maeztu\u201D (CEX2018-000805-M) Program for Centers of Excellence in RD. This article is based upon work from COST action, CA21126 \u2013 Carbon molecular nanostructures in space (NanoSpace) supported by COST (European Cooperation in Science and Technology). R.B. acknowledges the funding support from the State Research Agency (AEI) of the Spanish Ministry of Science and Innovation (MINCINN) under grant PID2020-115758GB-I00/AEI/10.13039/501100011033. Special thanks also to the efforts of Carlos Toledo for improving the SERS capabilities and measurements presented herein and also to Miguel Manso-Silv\u00E1n for the scientific support.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Copper Interconnects and Reliability · Surface Modification and Superhydrophobicity · Corrosion Behavior and Inhibition
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (100+)
Show source-provided references
1. Imidazole derivatives as efficient and potential class of corrosion inhibitors for metals and alloys in aqueous electrolytes: A review10.1016/j.molliq.2021.117815 ↗
2. Performance of all ionic liquids as the eco-friendly and sustainable compounds in inhibiting corrosion in various media: A comprehensive review10.1016/j.microc.2021.106049 ↗
3. Imidazole derivatives as corrosion inhibitors for copper: A DFT and reactive force field study10.1016/j.corsci.2020.108724 ↗
4. Singh · 2019
5. Molecular modelling of compounds used for corrosion inhibition studies: a review10.1039/D1CP00244A ↗
6. Development of a predictive model for corrosion inhibition of carbon steel by imidazole and benzimidazole derivatives10.1016/j.corsci.2016.02.036 ↗
7. Imidazoles as highly effective heterocyclic corrosion inhibitors for metals and alloys in aqueous electrolytes: A review10.1016/j.jtice.2020.08.034 ↗
8. A review on green corrosion inhibitors for protection of archeological metal artifacts10.1007/s40735-022-00636-6 ↗
9. Three imidazole ionic liquids as green and eco-friendly corrosion inhibitors for mild steel in sulfuric acid medium10.1016/j.molliq.2020.115063 ↗
10. Role of the van der waals interactions on the bonding mechanism of pyridine on Cu(110) and Ag(110) surface: First-principles study10.1103/PhysRevB.78.045411 ↗
11. Competing adsorption mechanisms of pyridine on Cu, Ag, Au, and Pt(110) surfaces10.1063/1.5054788 ↗
12. Observation of a half-metallic interface state for pyridine-adsorbed H/Fe3O4(100)10.1021/acs.jpclett.1c02391 ↗
13. On the nature of inhibition performance of imidazole on iron surface10.1016/j.corsci.2011.12.011 ↗
14. Formation and structure of inhibitive molecular film of imidazole on iron surface10.1016/j.corsci.2012.11.015 ↗
15. New insights into adsorption bonding of imidazole: A viable C2–H bond cleavage on copper surfaces10.1016/j.apsusc.2018.12.246 ↗
16. How relevant is the adsorption bonding of imidazoles and triazoles for their corrosion inhibition of copper?10.1016/j.corsci.2017.04.021 ↗
17. Dissociative adsorption of azoles on Cu(111) promoted by chemisorbed O and OH10.1016/j.corsci.2022.110680 ↗
18. Carbon steel corrosion inhibition in acid medium by imidazole-based molecules: Experimental and molecular modelling approaches10.1016/j.molliq.2021.115330 ↗
19. Computational and experimental studies of the inhibitory effect of imidazole derivatives for the corrosion of copper in an acid medium10.1016/j.molliq.2021.117813 ↗
20. Implicit solvation methods for catalysis at electrified interfaces10.1021/acs.chemrev.1c00675 ↗
21. Solvation effects on DFT predictions of ORR activity on metal surfaces10.1016/j.cattod.2018.07.036 ↗
22. Reaction of imidazole in gas phase at very low pressure with Cu foil and Cu oxides studied by X-ray photoelectron spectroscopy10.1002/sia.2528 ↗
23. Si(100) wafers cleaned by laser ablation10.1142/S0217979204026421 ↗
24. Application of pulsed-laser deposition technique for cleaning a GaAs surface and for epitaxial ZnSe film growth10.1116/1.581482 ↗
25. Ab initio molecular dynamics for liquid metals10.1103/PhysRevB.47.558 ↗
26. Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium10.1103/PhysRevB.49.14251 ↗
27. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
28. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
29. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation10.1103/PhysRevB.46.6671 ↗
30. Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation10.1103/PhysRevB.48.4978.2 ↗
31. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
32. Generalized gradient approximation made simple [Phys. Rev. Lett. 77, 3865 (1996)]10.1103/PhysRevLett.78.1396 ↗
33. Comprehensive benchmarking of a density-dependent dispersion correction10.1021/ct200602x ↗
34. A generalized-gradient approximation exchange hole model for dispersion coefficients10.1063/1.3545985 ↗
35. How important is self-consistency for the dDsC density dependent dispersion correction?10.1063/1.4867195 ↗
36. A van der Waals DFT study of chain length dependence of alkanethiol adsorption on Au(111): physisorption vs. chemisorption10.1039/C7CP01653K ↗
37. Molecular adsorption at Pt(111). How accurate are DFT functionals?10.1039/C5CP04534G ↗
38. Simon · 1992
39. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
40. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
41. Special points for brillonin-zone integrations10.1103/PhysRevB.13.5188 ↗
42. High-precision sampling for brillouin-zone integration in metals10.1103/PhysRevB.40.3616 ↗
43. NIST standard reference database 20, version 3.4 (web version)
44. The oxidation states of copper and iron in mineral sulfides, and the oxides formed on initial exposure of chalcopyrite and bornite to air10.1016/j.gca.2006.02.007 ↗
45. Advanced analysis of copper X-ray photoelectron spectra10.1002/sia.6239 ↗
46. Moulder · 1992 · 41
47. Surface protection of copper in 3% NaCl solution by using 1-(n-butyl) imidazole self-assembled monolayer10.1016/j.matpr.2018.05.114 ↗
48. Studies of protection of iron corrosion by rosin imidazoline self-assembled monolayers10.1002/sia.2497 ↗
49. Quality improvement of few-layers defective graphene from biomass and application for H2 generation10.3390/nano9060895 ↗
50. Nitrogen-doped carbons derived from imidazole-based cross-linked porous organic polymers10.3390/molecules26030668 ↗
51. Reaction of atomic oxygen with a Pt (111) surface: chemical and structural determination using XPS, CAICISS and LEED10.1016/j.susc.2003.08.029 ↗
52. Adsorption of carbon monoxide on copper (100) studied by photoelectron spectroscopy and low energy electron diffraction10.1039/f19787400546 ↗
53. Tuning the nature of N-based groups from N-containing reduced graphene oxide: enhanced thermal stability using post-synthesis treatments10.3390/nano10081451 ↗
54. Compositional behavior of Raman-active phonons in Pb(Zr1−xTix)O3 ceramics10.1103/PhysRevB.91.014104 ↗
55. Surface-enhanced Raman spectroscopy of imidazole adsorbed on electrode and colloidal surfaces of Cu, Ag, and Au10.1002/jrs.1478 ↗
56. In vivo detection of gold-imidazole self-assembly complexes: NIR-SERS signal reporters10.1021/ac060483a ↗
57. Surface-enhanced Raman spectroscopy studies on the interaction of imidazole with a silver electrode in acetonitrile solution10.1021/jp026747o ↗
58. Surface-enhanced Raman scattering and electrochemical investigations on the adsorption of imidazole: Imidazolium couple and its implications on copper corrosion inhibition10.1149/2.0841807jes ↗
59. Extraction of dominant points by estimation of the contour fluctuations10.1016/S0031-3203(01)00145-5 ↗
60. A spectral approach for sifting process in empirical mode decomposition10.1109/TSP.2010.2055563 ↗
61. An analysis of the ferroelastic transition in Pb(Zr0.53Ti0.47) O3: Gd through the elastic stiffness constant10.1080/01411594.2021.1932883 ↗
62. Structural and microstructural features of lead-free BNT–BT thin films: Nanoscale electromechanical response analysis10.1111/jace.17645 ↗
63. The adsorption of CO on transition metal clusters: A case study of cluster surface chemistry10.1016/j.susc.2008.09.064 ↗
64. Extending surface-enhanced raman spectroscopy to transition-metal surfaces: carbon monoxide adsorption and electrooxidation on platinum- and palladium-coated gold electrodes10.1021/ja00251a011 ↗
65. Effect of imidazole as corrosion inhibitor on carbon steel weldment in district heating water10.3390/ma14164416 ↗
66. Effects of imidazole deprotonation on vibrational spectra of high-spin iron(II) porphyrinates10.1021/ic3026396 ↗
67. Computational calculations of pka values of imidazole in Cu(II) complexes of biological relevance10.1039/c0cp02319a ↗
68. The influence of pH value on the efficiency of imidazole based corrosion inhibitors of copper10.1016/j.corsci.2009.09.026 ↗
69. Density functional study on the deprotonation and binding mechanism of imidazole on gold electrodes in an aqueous environment10.1021/acs.jpcc.2c01476 ↗
70. Stripping off hydrogens in imidazole triggered by the attachment of a single electron10.1039/C6CP08773F ↗
71. CO adsorption site preference on platinum: Charge is the essence10.1021/acscatal.8b00214 ↗
72. Adsorption and charge transfer interactions of bi-isonicotinic acid on Ag(111)10.1063/1.4996746 ↗
73. Adsorption of monocyclic aromatics on transition metal surfaces: Insight into variation of binding strength from first-principles10.1021/acs.jpcc.8b06321 ↗
74. Electronic, structural and chemical effects of charge-transfer at organic/inorganic interfaces10.1016/j.surfrep.2017.03.001 ↗
75. Adsorption of benzene on Cu(100) and on Cu(100) covered with an ultrathin NaCl film: Molecule–substrate interaction and decoupling10.1021/jp5106604 ↗
76. Revealing the interplay between covalent and non-covalent interactions driving the adsorption of monosubstituted thiourea derivatives on the au(111) surface10.1021/acs.jpcc.0c00729 ↗
77. Theoretical insights into vinyl derivatives adsorption on a Cu(100) surface10.1021/acs.jpcc.8b06142 ↗
78. Outstanding energy exchange between organic molecules and metal surfaces: Decomposition kinetics of excited vinyl derivatives driven by the interaction with a Cu(111) surface10.1021/acs.jpcc.9b04898 ↗
79. Ultrafast dynamics of electronic resonances in molecules adsorbed on metal surfaces: A wave packet propagation approach10.1021/acs.jctc.0c01031 ↗
80. Unveiling the anisotropic behavior of ultrafast electron transfer at the metal/organic interface10.1016/j.apsusc.2021.149311 ↗
81. Effect of a dielectric spacer on electronic and electromagnetic interactions at play in molecular exciton decay at surfaces and in plasmonic gaps10.1021/acsphotonics.1c00791 ↗
82. DFT study of azole corrosion inhibitors on Cu2O model of oxidized copper surfaces: I. Molecule–surface and Cl–surface bonding
83. DFT Study of Azole Corrosion Inhibitors on Cu2O Model of Oxidized Copper Surfaces: II. Lateral Interactions and Thermodynamic Stability
84. Complex-induced activating effect on surface species: Reactions of imidazole on zero oxidation state metal surfaces10.1021/la00017a026 ↗
85. In situ tuning of the charge-carrier polarity in imidazole-linked single-molecule junctions10.1021/acs.jpclett.1c01996 ↗
86. Electron ionization of imidazole and its derivative 2-nitroimidazole10.1007/s13361-019-02337-w ↗
87. Control of molecule–metal interaction by hydrogen manipulation in an organic molecule10.1021/acs.jpclett.6b00476 ↗
88. Quantification of aromaticity of heterocyclic systems using interaction coordinates10.1021/acs.jpca.8b05041 ↗
89. DFT studies of 2-mercaptobenzothiazole and 2-mercaptobenzimidazole as corrosion inhibitors for copper10.1016/j.corsci.2020.108840 ↗
90. Study on the film forming mechanism, corrosion inhibition effect and synergistic action of two different inhibitors on copper surface chemical mechanical polishing for GLSI10.1016/j.apsusc.2019.144507 ↗
91. A novel and high-efficiency inhibitor of 5-(4-methoxyphenyl)-3h-1,2-dithiole-3-thione for copper corrosion inhibition in sulfuric acid at different temperatures10.1016/j.molliq.2018.09.095 ↗
92. Controlling reaction pathways of selective C–O bond cleavage of glycerol10.1038/s41467-018-07047-7 ↗
93. Hydrodeoxygenation of phenol over Ni-based bimetallic single-atom surface alloys: mechanism, kinetics and descriptor10.1039/C9CY01082C ↗
94. Mechanistic aspects of glycerol electrooxidation on Pt(111) electrode in alkaline media10.1016/j.elecom.2017.11.027 ↗
95. Effect of surface structure and pd doping of fe catalysts on the selective hydrodeoxygenation of phenol10.1016/j.cattod.2020.07.038 ↗
96. Solvent Co-adsorption changing the type of halogen-based bonds associated with the position of bromine substituents revealed by scanning tunneling microscopy10.1021/acs.jpcc.1c07870 ↗
97. Halogen bonding controlled 2D self-assembled polymorphism of regioisomeric thienophenanthrene derivatives by coadsorption10.1039/D1NJ00203A ↗
98. Directional observations of guanine and cytosine pairing structures on HOPG10.1016/j.chemphys.2021.111189 ↗
99. H2O and CO coadsorption on Co (0001): The effect of intermolecular hydrogen bond10.1016/j.susc.2017.04.008 ↗
100. Role of intermolecular interactions in the catalytic reaction of formic acid on Cu(111)10.1002/smll.202008010 ↗