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101.
Ferromagnetic rare-earth-based inverse perovskites Gd3AlX (X = B, N) are studied using hybrid functionals in the framework of density functional theory. Different exchange correlation potentials are employed to analyze the structural parameters and geometry of the materials. The spin polarization and band structure explain the metallic behavior of these materials with high values of magnetic moment. The calculated elastic constants specify all materials are ordered perovskite compounds, among which Gd3GaB, Gd3GaN, Gd3InN are brittle in nature while as Gd3InB is ductile in nature. The quasi-harmonic Debye model was used to predict the thermodynamic properties of the material. The analysis of thermoelectric properties viz. Seebeck coefficient, electronic and thermal conductivities at higher temperature has been carried out. To check the optoelectronic response of the material various optical properties have been calculated up to 14 eV photon energy range. The competent thermoelectric and optoelectronic properties with high value of magnetic moment and ductile character suggests the application in thermoelectric and electro-optic devices. 相似文献
102.
Nabi SA Shahadat M Bushra R Shalla AH Azam A 《Colloids and surfaces. B, Biointerfaces》2011,87(1):122-128
A novel organic-inorganic nanocomposite cation-exchanger has been synthesized via sol-gel method. It was characterized on the basis of FTIR, XRD, SEM, TEM, AFM and Raman studies. The structural studies reveal semi-crystalline nature of the material with the particle size ranging from 1-5 nm. Physiochemical properties such as ion-exchange capacity, chemical and thermal stability of composite material have also been determined. Bifunctional behavior of the material has been indicated by its pH titrations curves. The nanocomposite material exhibits improved thermal stability, higher ion-exchange capacity and better selectivity for toxic heavy metals. The ion-exchange material shows an ion-exchange capacity of 1.8 meq g(-1) for Na(+) ions. Sorption behavior of metal ions on the material was studied in different solvents. The cation exchanger was found to be selective for Pb(II), Hg(II) and Zr(IV) ions. The limit of detection (LOD) and the limit of quantification (LOQ) for Pb(II) ion was found to be 0.85 and 2.85 μg L(-1). Analytically important separations of heavy metal ions in synthetic mixtures as well as industrial effluents and natural water were achieved with the exchanger. The practical utility of polyanilineZr(IV)sulphosalicylate cation exchanger has been established for the analysis and recovery of heavy metal ions in environmental samples. 相似文献
103.
Kumar Ajay Chakraborty Dwaipayan Nabi Zubair Wadibhasme Nilesh Dusane Rajiv O. Johari Priya Mukhopadhyay Amartya 《Journal of Solid State Electrochemistry》2023,27(5):1227-1240
Journal of Solid State Electrochemistry - While Li transport in Si is well understood, little is known about Na transport, despite Si being considered a potential anode material for the upcoming... 相似文献
104.
Ismael Hajar F. Sulaiman Tukur Abdulkadir Nabi Harivan R. Mahmoud W. Osman M. S. 《Nonlinear dynamics》2023,111(10):9457-9466
Lump solutions are a prominent option for numerous models of nonlinear evolution. The intention of this research is to explore the variable coefficients Kadomtsev–Petviashvili equation. We auspiciously provide multiple soliton and M-lump solutions to this equation. Additionally, the presented results are also supplied with collision phenomena. Owing of its essential role, we employ appropriate parameter values to emphasis the physical characteristics of the provided results using 3D and contour charts. The outcomes of this work convey the physical characteristics of lump and lump interactions that occur in many dynamical regimes.
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