Search Results - "Deshpande, Mrinalini D."

Sensing Characteristics of Phosphorene Monolayers toward PH3 and AsH3 Gases upon the Introduction of Vacancy Defects by Mahabal, Manasi S, Deshpande, Mrinalini D, Hussain, Tanveer, Ahuja, Rajeev

“…Motivated by the exceptional interest of researchers in two-dimensional nanostructures, the current study deals with the structural, electronic, optical, and…”
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Structural, electronic and optical properties of metalloid element (B, Si, Ge, As, Sb, and Te) doped g-ZnO monolayer: A DFT study by Wakhare, Sandhya Y., Deshpande, Mrinalini D.

“…Stable geometries, electronic structure, and optical properties of ZnO monolayer doped with metalloid element (M = B, Si, Ge, As, Sb, and Te) atom have been…”
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Effect of annealing temperature on optical, dielectric and NH3 gas sensing properties of ZnxFe3−xO4 (x = 0 and 0.5) nanoparticles synthesized by sol-gel auto-combustion method by Varpe, Ashwini S., Deshpande, Mrinalini D.

“…•ZnxFe3−xO4 nanoparticles (x = 0 and 0.5) are synthesized by sol-gel auto-combustion method.•Effect of annealing temperature on composition, magnetic, optical…”
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Study of structural, optical, and dielectric properties of sol–gel derived ZnFe2O4–Al2O3 composite nanoparticles by Varpe, Ashwini S., Deshpande, Mrinalini D.

“…The optical and dielectric properties of the ZnFe 2 O 4 –Al 2 O 3 nanocomposite are investigated and compared with the ZnFe 2 O 4 –SiO 2 nanocomposite and ZnFe…”
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The electronic and optical properties of monovalent atom-doped ZnO monolayers: the density functional theory by Wakhare, Sandhya Y, Deshpande, Mrinalini D

“…The current study deals with the structural, electronic and optical properties of monovalent element-doped ZnO monolayers using density functional theory…”
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Enhanced photocatalytic performance of CdFe2O4/Al2O3 nanocomposite for dye degradation by Varpe, Ashwini S., Deshpande, Mrinalini D., Tope, Dipak R., Borhade, Ashok V.

“…In the present work, CdFe 2 O 4 /Al 2 O 3 magnetic nanocomposite photocatalyst is successfully synthesized by simple sol-gel auto-combustion method. The role…”
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Sensing Characteristics of a Graphene-like Boron Carbide Monolayer towards Selected Toxic Gases by Mahabal, Manasi S., Deshpande, Mrinalini D., Hussain, Tanveer, Ahuja, Rajeev

“…By using first‐principles calculations based on density functional theory, we study the adsorption efficiency of a BC3 sheet for various gases, such as CO,…”
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Facile Fabrication of Room Temperature Based H2S Gas Sensor Using ZTO-Ag@PPy Hybrid Nanocomposite by Pagar, Sahebrao B., Ghorude, Tatyarao N., Deshpande, Mrinalini D., SenthilKannan, K.

“…In this study, Zinc stannate-silver (ZTO-Ag) nanoparticles are produced using the customary hydrothermal technique, followed by in-situ chemical oxidative…”
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The influence of rare earth (RE) dopants on structural, optical and gas sensing properties of spray deposited PbO thin films, where RE = Ce, Nd and Eu by Suryawanshi, V N, Varpe, Ashwini S, DESHPANDE, Mrinalini D

“…In the present work, rare earth (RE)-doped PbO thin films are characterised for their structural, morphological, electrical, optical and gas sensing…”
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Structural and Electronic Properties of (Al2O3) n Clusters with n = 1–10 from First Principles Calculations by Rahane, Amol B, Deshpande, Mrinalini D, Kumar, Vijay

“…The atomic structures, growth behavior, and electronic properties of (Al2O3) n , n = 1–10, clusters have been studied within the framework of density…”
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Density functional calculations of the structural and electronic properties of (Y2O3)(n)(0,±1) clusters with n = 1-10 by Rahane, Amol B, Murkute, Punam A, Deshpande, Mrinalini D, Kumar, Vijay

“…We report results of ab initio calculations on yttrium oxide clusters using a plane wave pseudopotential method within density functional theory. (Y2O3)n…”
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Theoretical study of interaction of Fe13O8@Zn48O48 cluster with dopamine: Magnetic and optical properties by Deshpande, Swapnil S., Potekar, Dipali B., Shelke, Pradip B., Deshpande, Mrinalini D.

“…In this study, we modelled the interaction of Fe13O8 and Fe13O8@Zn48O48 (core@shell) cluster with a biologically active dopamine molecule using density…”
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Carbon Nitride Monolayers as Efficient Immobilizers toward Lithium Selenides: Potential Applications in Lithium–Selenium Batteries by Deshpande, Swapnil S, Deshpande, Mrinalini D, Alhameedi, Khidhir, Ahuja, Rajeev, Hussain, Tanveer

“…The low cost, high energy density, and nontoxic nature have made lithium–selenium batteries (LiSeBs) a promising option for large-scale energy storage…”
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Removal of Cd(II) and Pb(II) ions from water solution by CoFe2O4/Al2O3 nanocomposite by Varpe, Ashwini S., Deshpande, Mrinalini D., Tope, Dipak R., Borhade, Ashok V.

“…In this study, the performance of magnetic CoFe 2 O 4 /Al 2 O 3 nanocomposite is evaluated towards the removal of Cd(II) and Pb(II) metal ions from the…”
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Structural and optical characteristics of Ce, Nd, Gd, and Dy-doped Al2O3 thin films by Varpe, Ashwini S, Deshpande, Mrinalini D

“…We present the optical properties of rare earth (RE)-doped Al 2 O 3 thin films and discuss their possible use in applications like gate dielectric material and…”
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Structural and Electronic Properties of Neutral and Ionic (Ga2O3) n Clusters with n = 1–10 by Rahane, Amol B, Deshpande, Mrinalini D

“…The structural and electronic properties of the (Ga2O3) n clusters (n = 1–10) have been studied within the framework of density functional theory. The (Ga2O3)…”
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First Principles Calculations for Structural, Electronic, and Magnetic Properties of Gadolinium-Doped Alumina Clusters by Rahane, Amol B, Deshpande, Mrinalini D, Kumar, Vijay

“…Atomic structures and physical properties of Gd-doped alumina clustersnamely, GdAl2n–1O3n and Gd2Al2n–2O3n with n = 1–10have been studied within the…”
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Optical Properties of Gallium Oxide Clusters from First-Principles Calculations by Rahane, Amol B, Deshpande, Mrinalini D, Chakraborty, Sudip

“…The optical properties of the (Ga2O3) n clusters, with n = 1–10, have been studied within the framework of time dependent density functional theory. The…”
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Screening study of light-metal and transition-metal-doped NiTiH hydrides as Li-ion battery anode materials by Qian, Zhao, Jiang, Xue, De Sarkar, Abir, Maark, Tuhina Adit, Deshpande, Mrinalini D., Bououdina, Mohamed, Johansson, Börje, Ahuja, Rajeev

“…Here we have investigated systematically the effects of various light-metals (Mg, Al) and transition-metals (V, Cr, Mn, Fe, Co, Cu, Zn) on the electrochemical…”
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Density Functional Calculations of the Structural and Electronic Properties of (Y2O3) n 0,±1 Clusters with n = 1–10 by Rahane, Amol B, Murkute, Punam A, Deshpande, Mrinalini D, Kumar, Vijay

“…We report results of ab initio calculations on yttrium oxide clusters using a plane wave pseudopotential method within density functional theory. (Y2O3) n…”
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