Synthesis, crystal growth, structure and characterization of a novel third order nonlinear optical organic single crystal: 2-Amino 4,6-Dimethyl Pyrimidine 4-nitrophenol

Karuppasamy, P.; Kamalesh, T.; Anitha, K.; Shaik, Abdul Kalam; Pandian, Muthu Senthil; Ramasamy, P.; Verma, Sunil; Rao, S. Venugopal

doi:10.1016/j.optmat.2018.07.039

Cited by 79 publications

(17 citation statements)

References 39 publications

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“…The intensity of the light irradiation is W/ , and is certainly within the experimental reach. Since much higher light intensities have been used in several other recent works 42 , 43 , we strongly believe that our chosen intensity will no longer damage the physical system.…”

Section: Resultsmentioning

confidence: 95%

Possible route to efficient thermoelectric applications in a driven fractal network

Mondal

Ganguly

Maiti

2021

Sci Rep

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An essential attribute of many fractal structures is self-similarity. A Sierpinski gasket (SPG) triangle is a promising example of a fractal lattice that exhibits localized energy eigenstates. In the present work, for the first time we establish that a mixture of both extended and localized energy eigenstates can be generated yeilding mobility edges at multiple energies in presence of a time-periodic driving field. We obtain several compelling features by studying the transmission and energy eigenvalue spectra. As a possible application of our new findings, different thermoelectric properties are discussed, such as electrical conductance, thermopower, thermal conductance due to electrons and phonons. We show that our proposed method indeed exhibits highly favorable thermoelectric performance. The time-periodic driving field is assumed through an arbitrarily polarized light, and its effect is incorporated via Floquet-Bloch ansatz. All transport phenomena are worked out using Green’s function formalism following the Landauer–Büttiker prescription.

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Section: Resultsmentioning

confidence: 95%

Possible route to efficient thermoelectric applications in a driven fractal network

Mondal

Ganguly

Maiti

2021

Sci Rep

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“…The Z-scan technique is an important and sensitive technique to calculate the third order nonlinear optical parameters [42, 43, 44, 45]. Using the Z-scan technique, the open and closed aperture Z-scan spectra, the nonlinear absorption coefficient and nonlinear optical refraction were calculated.…”

Section: Resultsmentioning

confidence: 99%

“…However, from the closed aperture Z-scan spectrum with pre focal valley and post focal peak indicates a self focusing process. It is a positive sign for nonlinear refraction [45]. To find out the nonlinear refractive index of grown pure and 1 mol % of NaCl doped SA crystals, the difference of the normalized peak and valley transmissions (ΔT p-v ) was calculated using the relation:…”

Section: Resultsmentioning

confidence: 99%

“…The positive sign of the nonlinear refractive index (n 2 ) indicates the self focusing nature of the crystals. This may have an advantage in practical devices, by providing remote sensing and lightning control [45, 46]. From the open aperture Z-scan curve, the nonlinear absorption coefficient (β) is 2.563 × 10 −4 m/W for pure SA and 2.909 × 10 −4 m/W for 1 mol % of NaCl doped SA crystal.…”

Section: Resultsmentioning

confidence: 99%

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Effect of NaCl on the properties of sulphamic acid single crystals

Arumugam

Suresh

Selvapandiyan

et al. 2019

Heliyon

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Single crystals of pure and NaCl doped sulphamic acid (SA) were grown by slow evaporation method at room temperature. The lattice parameters and structure were determined by using single crystal and powder X-ray diffraction analyses. The presence of dopant in the SA lattice was affirmed by EDAX analysis. UV-Vis spectra show maximum transmittance in the visible region. The band gap energies were found to be 6.06 eV and 5.70 eV for pure and NaCl doped SA crystals respectively. From the PL specta the emission were observed at 335 and 424 nm for pure and 340 and 428 nm for doped SA crystal. The thermal stability of the grown crystals were analyzed by thermogravimetric and differential thermal analysis (TGA/DTA) and revealed that the grown crystals were thermally stable up to 331 °C and 334 °C for pure and NaCl doped SA. Vickers microhardness study reveals that the hardness of the crystals is increase with increasing load. The photoconductivity study shows that the grown crystals are negative photoconductive nature. The Laser Damage Threshold (LDT) indicates the grown crystals have good resistance to laser radiation than a standard Potassium dihydrogen phosphate (KDP) crystal. The Z-scan technique was employed to determine the nonlinear refractive index, nonlinear optical absorption and third order nonlinear optical (TONLO) susceptibility of the grown crystals using He–Ne laser.

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“…The DFT calculations were performed with B3LYP/6-31 G (d, p) basis set. The energy gap predicts the kinetic stability and chemical reactivity of the molecule [25]. The energy gap for the molecule is found to be 5.486 eV.…”

Section: Frontier Molecular Orbitalsmentioning

confidence: 97%

Synthesis and detailed characterization of a newly synthesized chalcone, 3-(2,5-dimethoxyphenyl)-1-(naphthalen-2-yl)prop-2-en-1-one

et al. 2021

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Chalcones are the main component of some natural compounds. The title compound, 3-(2,5-dimethoxyphenyl)-1-(naphthalen-2-yl)prop-2-en-1-one, was synthesized and characterized. The compound (C21H18O3) crystallizes in the triclinic system with the space group of P-1 (no. 2), a = 7.7705(4) Å, b = 10.2634(6) Å, c = 11.2487(6) Å, α = 79.655(5)°, β = 81.500(5)°, γ = 68.039(5)°, V = 815.28(9) Å3, Z = 2, T = 293(2) K, μ(MoKα) = 0.086 mm-1, Dcalc = 1.297 g/cm3, 9126 reflections measured (4.318° ≤ 2Θ ≤ 52.728°), 3302 unique (Rint = 0.0466, Rsigma = 0.0528) which were used in all calculations. The final R1 was 0.0568 (I > 2σ(I)) and wR2 was 0.1667 (all data). The crystal structure is stabilized by both short C-H···O inter- and intra-molecular interactions. In addition, the crystal structure is reinforced by π-π interactions. Hirshfeld surface analysis confirmed the presence of C-H···O intermolecular interactions. The two-dimensional fingerprint plots are used to visualize the individual interactions present in the molecule. DFT calculations were performed to know the energy levels of the frontier molecular orbitals (HOMO-LUMO). The energy gap between the frontier molecular orbitals shows the kinetic stability of the molecule. The chemical reactive sites are observed by generating MEP surface. Non-covalent interactions (NCIs) are analyzed using reduced density gradient (RDG) analysis.

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Synthesis, crystal growth, structure and characterization of a novel third order nonlinear optical organic single crystal: 2-Amino 4,6-Dimethyl Pyrimidine 4-nitrophenol

Cited by 79 publications

References 39 publications

Possible route to efficient thermoelectric applications in a driven fractal network

Possible route to efficient thermoelectric applications in a driven fractal network

Effect of NaCl on the properties of sulphamic acid single crystals

Synthesis and detailed characterization of a newly synthesized chalcone, 3-(2,5-dimethoxyphenyl)-1-(naphthalen-2-yl)prop-2-en-1-one

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