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Density Functional Theory Investigation of Nonlinear Optical Properties of T-Graphene Quantum Dots
摘要： Using density functional theory calculations, we have analyzed nonlinear optical properties of a series of T-graphene quantum dots differing in their shape and size. Electronic polarizability, first-order and second-order hyperpolarizability of these systems are investigated and shed light on their stability and electronic properties. Negative cohesive energy shows that they are energetically stable. The effect of size and incident frequency on their nonlinear responses are comprehensively discussed. Most of the systems exhibit strong NLO response and it enhanced in the presence of external field. All these systems show absorption maximum ranging from UV to visible window. Overall, this theoretical framework highlighted the nonlinear optical properties of T-graphene quantum dots that may provide valuable information in designing potential NLO materials.
关键词： T-graphene quantum dot,electron delocalization,nonlinear optical property,UV-visible absorption spectra,Density functional theory
更新于2025-09-16 10:30:52
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Investigation of parameters governing damage resistance of nematic liquid crystals for high-power or peak-intensity laser applications
摘要： We investigate the damage resistance of saturated and unsaturated liquid crystals (Lc’s) under a wide range of laser excitation conditions, including 1053-nm pulse durations between 600 fs and 1.5 ns and nanosecond pulse excitation at 351 nm and 532 nm. This study explores the relationship between the LC’s resistance to laser-induced breakdown (damage) and the electronic structure (π-electron delocalization) of the constituent molecules. the laser-induced damage threshold at all wavelengths and pulse durations was consistently higher in saturated materials than in their unsaturated counterparts. the wavelength’s dependence in the results suggests that the energy coupling process that leads to laser-induced breakdown is governed by the energy separation between the ground state and the first and second excited states, while the pulse duration’s dependence in the results reveals the important role of electron relaxation between the excited states. A qualitative description was developed to interpret the experimental observations.
关键词： laser-induced damage threshold,liquid crystals,saturated materials,unsaturated materials,π-electron delocalization
更新于2025-09-11 14:15:04