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V. Jothi,Akeem Yusuf Adesina,A. Madhan Kumar,J. S. Nirmal Ram 대한금속·재료학회 2020 METALS AND MATERIALS International Vol.26 No.11
This study aims to evaluate the influence of dicarboxylic acids (oxalic, malonic and succinic acid) used in anodizationbath on the surface and corrosion resistant performance of anodized films on AA2024 aerospace grade alloys. The surfacemorphology, topography, composition and structure of anodized samples were examined by scanning electron microscopy,optical profilometer, X-ray diffraction and attenuated total reflectance-infrared techniques. Characterization results revealedthe effect of dicarboxylic acids addition on the anodized film’s surface with important changes. X-ray Photoelectron Spectroscopicanalysis confirmed the presence of carboxylic groups on the porous anodized layer processed in anodization bathcontaining succinic acid. The electrochemical corrosion tests specified a solid relationship between the corrosion resistanceand the surface microstructure of the anodized layer processed in different dicarboxylic acids.
P. Muthuraja,T. Joselin Beaula,M. Sethuram,V. Bena Jothy,M. Dhandapani 한국물리학회 2018 Current Applied Physics Vol.18 No.6
Two triazole crystals, namely 1H-1,2,3-triaol-3-ium 2,4,6-trinitrophenolate (TZP) and 1H-1,2,3-triazole: 3,5- dinitrobenzoic acid (TZDBA) were investigated by using DFT and TD-DFT methods to identify the nature and influence of molecular interactions on properties of the compounds. Spectroscopic analyses were carried out to confirm the molecular entities in both the compounds. Optimization of the molecular structure was undertaken using three different DFT combinations of functionals. UV spectral analysis was carried out both experimentally and theoretically. CHELPG atomic charges, HOMO-LUMO and NBO analyses reveal the effect of deprotonation in TZP and formation of molecular adduct in TZDBA. Thermal analysis reveals both the compounds were stable up to 160 °C. Both the triazole derivatives belong to soft material category. The intermolecular hydrogen bonding interactions in TZP and TZDBA are responsible for the observed molecular hyperpolarizabilities. There is an increase in the frequency dependent hyperpolarizabilities compared to the static hyperpolarizabilities.