Search Results - "Reeta Felscia, U."
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Charge transport properties of pyrene and its derivatives: optoelectronic and nonlinear optical applications
Published in Journal of materials science (01-11-2018)“…The charge transport and nonlinear optical (NLO) properties of pyrene and nine of its mono-substituted derivatives have been analyzed for potential use as…”
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Experimental and computational investigations of 4, 4′-Dimethoxybenzoin single crystal for optical limiting applications
Published in Journal of crystal growth (15-06-2022)“…•Good quality crystal of 4,4′-Dimethoxybenzoin was grown by Bridgman technique.•The Grown crystal reveals 49% transparency in the visible region.•Electrical…”
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Optical nonlinearity and charge transfer analysis of pyrene adsorbed on silver: Computational and experimental investigations
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05-09-2017)“…The interaction of pyrene on silver has been investigated using both experimental and computational methods. Hyperpolarizabilities computed theoretically…”
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Theoretical investigations on nonlinear fused 4-ring systems: Application to OLED and NLO devices
Published in Synthetic metals (01-12-2018)“…[Display omitted] •Hole transport ability of nonlinear fused systems are predicted using DFT.•Single exciton generation fraction reveals efficient fluorescent…”
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Theoretical and experimental investigations of nitropyrene on silver for nonlinear optical and metal ion sensing applications
Published in Materials chemistry and physics (01-03-2020)“…Adsorption of nitropyrene (NPy) on silver has been analysed through theoretical and experimental techniques. Using density functional theory (DFT), variations…”
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Computational study of quinacridone on silver and gold clusters: Applications to organic light emitting diodes and nonlinear optical devices
Published in Materials letters (15-06-2018)“…•Quinacridone-silver (QA-Ag3) is identified as an efficient nonlinear optical material.•Reorganization energy suggest that QA-Ag3 is a good hole transport…”
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Electronic and Nonlinear Optical Properties of l‑Histidine on Silver: A Theoretical and Experimental Approach
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01-02-2018)“…An investigation of the electrostatic interactions between histidine and silver have been analyzed using density functional theory (DFT). Variations in the…”
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Hematene Nanoflakes: A Non-van der Waals Material with Superior Nonlinear Optical Properties
Published in ACS applied optical materials (24-03-2023)Get full text
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Theoretical Investigations on Structural, Optical and Vibrational Properties of Pyridine 3-Carboxylic Acid Adsorbed on a Silver Cluster
Published in Journal of electronic materials (01-07-2022)“…Interaction between pyridine 3-carboxylic acid (PyCA) and a silver nanocluster (Ag 3 ) is examined using density functional theory (DFT) with a 6-31G++(d,p)…”
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