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In-situ construction of grass-like hybrid architecture responsible for extraordinary corrosion performance: Experimental and theoretical approach

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Nano Materials Science 2024年第1期6卷 44-59页

作者： T.Suhartono F.Hazmatulhaq Y.Sheng a.chaouiki M.P.Kamil Y.G.Ko Materials Electrochemistry Group School of Materials Science and EngineeringYeungnam UniversityGyeongsan38541Republic of Korea Research Center for Advanced Materials National Research and Innovation Agency(BRIN)South TangerangBanten15314Indonesia

Despite the engineering potential by the co-existence of inorganic and organic substances to protect vulnerable metallic materials from corrosive environments,both their interaction and in-situ formation mechanism to induce the nature-inspired composite remained less *** present work used three distinctive mercaptobenzazole(MB)compounds working as corrosion inhibitors,such as 2-mercaptobenzoxazole(MBO),2-mercaptobenzothiazole(MBT),and 2-mercaptobenzimidazole(MBI)in a bid to understand how the geometrical structure arising from O,S,and N atoms affected the interaction toward inorganic *** compounds that were used here to control the corrosion kinetics would be interacted readily with the pre-existing MgO layer fabricated by plasma *** phenomenon triggered the nucleation of the root network since MB compounds were seen to be adsorbed actively on the defective surface through the active sites in MB ***,the molecule with twin donor atoms adjacent to the mercapto-sites affected the facile growth of the grass-like structures with‘uniform’distribution via molecular self-assembly,which showed better corrosion performance than those with having dissimilar donor atoms with the inhibition efficiency(η)of 97%*** formation mechanism underlying nucleation and growth behavior of MB molecule was discussed concerning the theoretical calculation of density functional theory.

关键词： Nature-inspired composite Organic-inorganic interaction Corrosion inhibitor Density functional theory Electrochemistry

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Advanced prediction of organic–metal interactions through DFT study and electrochemical displacement approach

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Journal of Magnesium and Alloys 2023年第1期11卷 301-316页

作者： Abdelkarim chaouiki Wail Al Zoubi Young Gun Ko Materials Electrochemistry Group School of Materials Science and EngineeringYeungnam UniversityGyeongsan 38541South Korea

Heterocyclic compounds are the promising biological compounds as nature-friendly for the corrosion protection of metallic *** this work,three heterocyclic compounds such as 1-azanaphthalene-8-ol(8-AN),2-methylquinoline-8-ol(8-MQ),and 8-quinolinol-5-sulfonic acid(8-QSA)were used as green compounds,and their anti-corrosion performance for AZ31 Mg in saline water was discussed on the basis of impedance interpretation and surface *** found that the electrochemical performance was improved in the order of 8-AN>8-MQ>8-QSA,demonstrating the electron donor effect of N-heterocycles to form coordination complexes on the magnesium *** the electrochemical performance,the protective layer constructed at the optimal concentration reinforces the barrier against aggressive environments,with potential inhibition efficiency of 87.4%,99.0%,and 99.9%for 8-QSA,8-MQ,and 8-AN,*** chemical parameters and electron density distribution for free organic species in the absence and presence of Mg^(2+)cation were evaluated using density functional theory(DFT).Upon the formation of coordination complexes between organic compound and Mg^(2+),energy gap underwent change about ΔE=5.7 eV in the 8-AN/Mg^(2+)***,the adsorption of heterocyclic compounds on Mg surface reveals the formation of strong covalent bonds with Mg atoms,which further confirmed by the electron density difference and projected density of states *** on theoretical calculations,three inhibitors can adsorb on the metal surface in both parallel and perpendicular orientations via C,O and N *** the parallel configuration,the C-Mg,N-Mg and O-Mg bond distances are between 2.11 and 2.25˚A,whereas the distances in the case of perpendicular adsorption are between 2.20 and 2.40˚A(covalent bonds via O and N atoms).The results indicated that parallel configurations are energetically more stable,in which the adsorption energies are-4.48 eV(8-AN),-4.28 eV(8-MQ)and-3.82 e

关键词： Organic layer Heterocyclic compounds Electrochemical behavior DFT modeling

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Fabrication of branch-like Aph@LDH-MgO material through organic-inorganic hybrid conjugation for excellent anti-corrosion performance

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Journal of Magnesium and Alloys 2023年第7期11卷 2469-2485页

作者： Maryam Chafiq Abdelkarim chaouiki Rachid Salghi Young Gun Ko Materials Electrochemistry Laboratory School of Materials Science and EngineeringYeungnam UniversityGyeongsan 38541Republic of Korea Laboratory of Applied Chemistry and Environment ENSAUniversity Ibn ZohrPO Box 1136Agadir80000Morocco

Layered double hydroxides(LDH)frameworks have shown significant enhancement in stability and reusability,and their tailorable architecture brings new insight into the development of the next generation of hybrid materials,which attracted considerable attention in many fields over the *** of the factors contributing to the widespread applicability of layered double hydroxides is their adaptable composition,which can accommodate a wide spectrum of potential anionic *** exceptional property makes the LDH system simple to adjust for various ***,most LDH systems are synthesized in situ in an autoclave at high temperatures and pressures that severely restrict the industrial use of such coating *** this study,LDH was directly synthesized on a magnesium alloy that had undergone plasma electrolytic oxidation(PEO)treatment in the presence of ethylenediaminetetraacetic acid,thereby avoiding the use of hydrothermal autoclave *** LDH system was compared with a hybrid architecture consisting of organic-inorganic *** organic layer was fabricated on top of the LDH film using 4-Aminophenol(Aph)compound,resulting in a smart hierarchical structure that can provide a robust Aph@LDH film with excellent anti-corrosion *** the molecular level,the conjugation characteristics and adsorption mechanism of Aph molecule were studied using two levels of theory as ***,Localized orbit locator(LOL)-πisosurface,electrostatic potential(ESP)distribution,and average local ionization energy(ALIE)on the molecular surface were used to highlight localization region,reveal the favorable electrophilic and nucleophilic attacks,and clearly explore the type of interactions that occurred around interesting ***,first-principles based on density functional theory(DFT)was applied to study the hybrid mechanism of Aph on LDH system and elucidate their mutual *** experimental and computational analyses suggest t

关键词： Magnesium alloy Surface modification LDH Organic-inorganic hybrid materials Inter-/intra-molecular interactions

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Tuning the reactivity of TiO_(2)layer with uniform distribution of Sub-5 nm Fe_(2)O_(3)particles via in situ voltage-assisted oxidation for robust catalytic reduction

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Nano Materials Science 2024年第2期6卷 223-234页

作者： Nisa Nashrah Abdelkarim chaouiki Wail Al Zoubi Young Gun Ko Integrated Materials Chemistry Laboratory School of Materials Science and EngineeringYeungnam UniversityGyeongsan38541Republic of Korea

The trade-off between efficiency and stability has limited the application of TiO_(2)as a catalyst due to its poor surface ***,we present a modification of a TiO_(2)layer with highly stable Sub-5 nm Fe_(2)O_(3)nanoparticles(NP)by modulating its structure-surface reactivity relationship to attain efficiency-stability balance via a voltage-assisted oxidation *** situ simultaneous oxidation of the Ti substrate and Fe precursor using high-energy plasma driven by high voltage resulted in uniform distribution of Fe_(2)O_(3)NP embedded within porous TiO_(2)*** surface characterizations with density functional theory demonstrated an improved electronic transition in TiO_(2)due to the presence of surface defects from reactive oxygen species and possible charge transfer from Ti to Fe;it also unexpectedly increased the active site in the TiO_(2)layer due to uncoordinated electrons in Sub-5 nm Fe_(2)O_(3)NP/TiO_(2)catalyst,thereby enhancing the adsorption of chemical functional groups on the *** unique embedded structure exhibited remarkable improvement in reducing 4-nitrophenol to 4-aminophenol,achieving approximately 99%efficiency in 20 min without stability decay after 20 consecutive cycles,outperforming previously reported TiO_(2)-based *** finding proposes a modified-electrochemical strategy enabling facile construction of TiO_(2)with nanoscale oxides extandable to other metal oxide systems.

关键词： Titanium dioxide Oxide nanoparticle Electrochemical oxidation Surface reactivity Efficiency Stability

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Recent Advances in Multifunctional Reticular Framework Nanoparticles:A Paradigm Shift in Materials Science Road to a Structured Future

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Nano-Micro Letters 2023年第11期15卷 435-502页

作者： Maryam Chafiq Abdelkarim chaouiki Young Gun Ko Materials Electrochemistry Group School of Materials Science and EngineeringYeungnam UniversityGyeongsan 38541Republic of Korea

Porous organic frameworks(POFs)have become a highly sought-after research domain that offers a promising avenue for developing cutting-edge nanostructured materials,both in their pristine state and when subjected to various chemical and structural ***–organic frameworks,covalent organic frameworks,and hydrogen-bonded organic frameworks are examples of these emerging materials that have gained significant attention due to their unique properties,such as high crystallinity,intrinsic porosity,unique structural regularity,diverse functionality,design flexibility,and outstanding *** review provides an overview of the state-of-the-art research on base-stable POFs,emphasizing the distinct pros and cons of reticular framework nanoparticles compared to other types of nanocluster ***,the review highlights the unique opportunity to produce multifunctional tailoring nanoparticles to meet specific application *** is recommended that this potential for creating customized nanoparticles should be the driving force behind future synthesis efforts to tap the full potential of this multifaceted material category.

关键词： Porous organic framework Reticular chemistry Reticular framework nanoparticle Environmental remediation Multifunctional material

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