Search Results - "Kshirsagar, Anjali"

Hybrid assemblies of octagonal C and BN monolayers and their electronic properties by Gaikwad, Prashant Vijay, Kshirsagar, Anjali

“…Two-dimensional materials and their assemblies have attracted considerable attention due to their versatile properties for various applications. Among them,…”
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In pursuit of bifunctional catalytic activity in PdS2 pseudo-monolayer through reaction coordinate mapping by Saraf, Deepashri, Chakraborty, Sudip, Kshirsagar, Anjali, Ahuja, Rajeev

“…We have investigated the photocatalytic efficiency and corresponding hydrogen and oxygen evolution reactions (HER and OER) through different functionalization…”
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Adsorption of molecular hydrogen and hydrogen sulfide on Au clusters by Ghebriel, Hagos W, Kshirsagar, Anjali

“…The authors present theoretical results describing the adsorption of H2 and H2S molecules on small neutral and cationic gold clusters (Au(n)((0/+1)), n=1-8)…”
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Estimation of epidemiological parameters for historicalm ship outbreaks of influenza by Praveen Kumar, Anjali Kshirsagar, Pratip Shil

“…Periodic Influenza epidemics are a cause of concern world-wide due to heavy burden of disease consequently leading to economic distress mortality. In modern…”
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Electronic Structure of Visible Light-Driven Photocatalyst δ‑Bi11VO19 Nanoparticles Synthesized by Thermal Plasma by Kekade, Shankar Subhash, Gaikwad, Prashant Vijay, Raut, Suyog Asaram, Choudhary, Ram Janay, Mathe, Vikas Laxman, Phase, Deodatta, Kshirsagar, Anjali, Patil, Shankar Ishwara

“…Size confinement for tailoring of electronic structures can in principle be explored for enhancement of photocatalytic properties. In the present work,…”
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Effect of Passivation on Stability and Electronic Structure of Bulk-like ZnO Clusters by Gaikwad, Prashant V, Pujari, Pradeep K, Kshirsagar, Anjali

“…Electronic structure of nearly stoichiometric and nonstoichiometric clusters of ZnO having bulk-like wurtzite geometry passivated with fictitious hydrogen…”
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Comparative study of CdTe bulk system co-doped with two different transition metal atoms using different exchange-correlation energy functionals: GGA, GGA+U and Hybrid Functional by Chattopadhyay, Sutapa, Kshirsagar, Anjali

“…We have examined the half-metallic (HM) nature of CdTe bulk zinc-blende structure co-doped with two different 3d transition metal (TM) atoms: one Mn and the…”
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First Principles Calculations of Cu Doped ZnO: a Potential Spintronic Material by Mali, Ashwini, Kshirsagar, Anjali

“…Diluted magnetic semiconductors (DMS), in which transition metal (TM) ions primarily substitute cations of the host material form a class of spintronic…”
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Half-metallicity in smallest cage-like cluster of CdTe with doping of transition metal atoms by Chavan, Kashinath T, Chandra, Sharat, Kshirsagar, Anjali

“…We report first principles theory based electronic structure studies of a semiconducting stoichiometric cage-like Cd9Te9 cluster. Substantial changes are…”
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Ethylenediamine-Mediated Wurtzite Phase Formation in ZnS by Acharya, S. A, Maheshwari, Neeraj, Tatikondewar, Laxman, Kshirsagar, Anjali, Kulkarni, S. K

“…The usual high temperature wurtzite phase of ZnS was successfully obtained at low temperature (170 °C) in the presence of ethylenediamine (EN) as the soft…”
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Zirconium Dichalcogenide-Based van der Waals Heterostructures for Efficient Schottky Barrier Solar Cells by Tatikondewar, Laxman, Chakraborty, Sudip, Ahuja, Rajeev, Kshirsagar, Anjali

“…We present our study of bilayered heterostructures consisting of a metallic ZrTe2(1T) monolayer and a semiconducting ZrSe2(1T) monolayer leading to a bilayered…”
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Ab initio calculations of structural and electronic properties of CdTe clusters by Bhattacharya, Somesh Kr, Kshirsagar, Anjali

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Experimental and computational study of Cu2FeSnS4: An emerging quaternary semiconductor by Ghemud, V.S., Jadhav, P.R., Kolhe, P.T., Shelke, P.N., Dahiwale, S.S., Kshirsagar, Anjali

“…The quaternary semiconductor Cu2FeSnS4 (CFTS) has attracted attention of the research community due to its optical and electrical properties, earth abundance…”
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Quantum Confinement in CdTe Quantum Dots: Investigation through Cyclic Voltammetry Supported by Density Functional Theory (DFT) by Haram, Santosh K, Kshirsagar, Anjali, Gujarathi, Yogini D, Ingole, Pravin P, Nene, Omkar A, Markad, Ganesh B, Nanavati, Sachin P

“…Cyclic voltammetry has been used as a tool to study the quantum confinement in oleic acid stabilized CdTe quantum dot dispersions. The band structure…”
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Investigations of swift heavy ion induced thermoluminescence effect, trapping parameter analysis, and density functional theory of MgB4O7: Eu phosphor by Gavhane, Kishor H., Bhadane, M.S., Kulkarni, Preeti P., Kashid, Vikas, Ghemud, V.S., Hareesh, K., Asokan, K., Kshirsagar, Anjali, Bhoraskar, V.N., Dhole, S.D., Dahiwale, S.S.

“…The present work reports swift heavy ion (SHI) induced thermoluminescence (TL) dosimetric properties and density functional theory (DFT) studies of Eu doped…”
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Facile synthesis and first principles calculations of Li-MoS2/rGO nanocomposite for high-performance supercapacitor applications by Khandare, Lina N., Mahabal, Manasi S., Bhosale, Swapnil R., Late, Dattatray J., Kshirsagar, Anjali, Chaure, Nandu B.

“…Two-dimensional (2D) nanostructured materials such as graphene oxide nanosheets and molybdenum disulfide (MoS2) are potential candidates for electrochemical…”
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Band Gap Bowing at Nanoscale: Investigation of CdSxSe1―x Alloy Quantum Dots through Cyclic Voltammetry and Density Functional Theory by INGOLE, Pravin P, MARKAD, Ganesh B, SARAF, Deepashri, TATIKONDEWAR, Laxman, NENE, Omkar, KSHIRSAGAR, Anjali, HARM, Santosh K

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Experimental and theoretical study of Tetrakis(dimethylamino)ethylene induced magnetism in otherwise nonmagnetic graphene derivatives by Alegaonkar, Ashwini P., Kibey, Aniruddha S., Alegaonkar, Prashant S., Kshirsagar, Anjali, Pardeshi, Satish K.

“…Magnetic nanocarbon offers unique opportunities for future molecular spintronic applications. In such nanocarbons, emergence of magnetization mainly comes from…”
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How different are Te clusters—a first-principles study by Ghemud, V. S., Gol, H. A. Shafiei, Kshirsagar, Anjali

“…Density functional theory-based electronic structure calculations are carried out to obtain the geometries corresponding to the lowest three energy values for…”
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Electronic structure of GaN codoped with Mn and Cr by Tandon, Nandan, Das, G. P., Kshirsagar, Anjali

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