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Designing neodymium-doped hexamine complexant as novel IR NLO material with extremely large non-linear optical behavior
A new complex named HMNd has been basically designed by do** rare-earth neodymium metal inside the hexamine surface HM. Density functional theory...
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Solvent-assisted investigation of NLO responses of 3,5-dihydroxybenzoic acid and pyrazine-2-carboxamide cocrystal
In recent years, there has been a growing interest in cocrystals as potential materials for nonlinear optical (NLO) applications due to their...
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Synthesis, crystal structures, spectroscopy, and quantum chemical studies on the 4-dimethylaminopyridinium-2,4-dinitrophenolate: an organic NLO material for optoelectronics
ContextIn this work, the 4-dimethylaminopyridinium-2,4-dinitrophenolate (4DMAP + 2,4DNP) by slow evaporation solution growth method has been...
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Exploring the quinoidal oligothiophenes to their robust limit for efficient linear and nonlinear optical response properties
The possibility of tuning the chemical structures of oligothiophenes offers various applications in designing of optoelectronics and nonlinear...
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Theoretical design, synthesis, characterization and solvatochromic studies and non-linear optical properties of poly[( 2,3,5,6- tetrafluorophenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine)] copolymer
A donor–acceptor type π-conjugated conducting, poly[( 2,3,5,6- tetrafluorophenyl)-2,3-dihydro-thieno[3,4-b][1,4]dioxine)], P(EDOT-4FPH) was designed...
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Correlating the charge density and structural fabrication of new organic dyes to create visible light harvesting materials with tunable NLO refining: insights from DFT
In this investigation, the new organic dyes (TDBR1–TDBR6) have been designed from a moiety, namely thienobenzodithiophene (TDB), using the density...
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Synthesis, Characterizations of Macro, Micro, Irradiated Crystals of KDP, the Standard Non-linear Optical Reference Material for Mechano, Photonic, Electronic Uses
The KDP-Potassium Dihydrogen Phosphate crystal is properly grown is confirmed by the single crystal XRD, which is further conceded for Co-60...
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Exohedrally and endohedrally doped calix-4-pyrrole surface by alkali and alkaline earth metals for potential applications as high-performance NLO materials
The recent study is focused on the exploration of properties related to the optical as well as nonlinear optical (NLO) applications by do** of...
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Synthesis, Characterization, Morphological, Linear and Nonlinear Optical Properties of Silicon Carbide Doped PVA Nanocomposites
This work reports the synthesis, characterization, morphological, linear and nonlinear optical (NLO) features of undoped and silicon carbide (SiC)...
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Synthesis, crystal structure, Hirshfeld surface analysis, energy framework, NBO-NLO analysis of new ethyl 2-benzoyl-3,3-bis(methylthio)acrylate
The current study focuses on the synthesis of a new organic compound namely, ethyl 2-benzoyl-3,3-bis(methylthio)acrylate, whose structural...
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The centrosymmetric to non-centrosymmetric transformation induced by alkaline-earth cations producing infrared nonlinear optical AeMn6Ga6S16 (Ae = Ca, Sr)
Non-centrosymmetric (NCS) structure is an indispensable prerequisite for second-order nonlinear optical (NLO) material. Currently, the mainstream...
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Enhancement of nonlinear optical response of 26Adamanzane by do** with alkali metals exohedrally and alkaline earth metals endohedrally: a DFT study
The quest for nonlinear optical (NLO) crystals, which are essential for future optical understanding, detailed evaluations, and present laser...
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A Comprehensive Study of the Linear/Nonlinear Optical and Electrical Features of rGO/Co: TiO2 Nanostructures Incorporated PVP/PVA Blend
The current work presents a comprehensive study of the linear/nonlinear optical and electrical features of rGO/Co: TiO 2 nanostructures incorporated...
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Efficient and tunable enhancement of NLO performance for indaceno-based donor moiety in A-π-D-π-D-π-A type first DSSC design by end-capped acceptors
BackgroundThe organic dyes with non-fullerene acceptors (NFAs) have aided in the creation of competitive organic solar cells (OSCs) with long-term...
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Exohedrally and endohedrally doped 15-crown-5 (a crown ether) surface by metals for potential applications as high-performance NLO materials
The computational simulations of nonlinear optical (NLO) characteristics of silver (Ag) and alkaline earth metals (Be, Mg, and Ca) doped 15-crown-5 ( 15C5...
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Nonlinear Optical Properties of Hybrid Materials of Neodymium Metal Doped Boron Nitride: Comprehensively Study via Silico-Technique
The optical and nonlinear optical (NLO) properties of pure boron nitride (BN) and neodymium (Nd) metal-doped BN compounds were investigated in this...
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Investigation of second-order NLO properties of novel 1,3,4-oxadiazole derivatives: a DFT study
ContextIn this study, we have developed four new chromophores (TM1–TM4) and performed quantum chemical calculations to explore their nonlinear...
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Design of a few end-capped donor–acceptor inorganic–organic hybrid Nickel dithiolene derivatives for efficient NLO response
The NLO property of a few designed inorganic–organic hybrid materials based on Nickel dithiolenes end-capped with donor–acceptor groups has been...
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Synthesis, characterization, solvatochromic, and electrochemical investigation of novel 4-methyl coumarin fused azo dyes as an NLO material and their biological studies
Herein, we synthesized novel 4-methyl coumarin-incorporated heterocyclic azo dyes, and structures were confirmed by analytical and spectroscopic...
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Tricine Incorporated Potassium Metal Ion Crystal: Antibacterial and NLO Activities
In this study, we used the solution growth approach to successfully synthesis tricine potassium nitrate (TPN) single crystals. The phases of TPN...
