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The UV‐visible absorption spectra of the open‐ring structure (a) and the UV‐visible absorption spectra of the closed‐ring structure (b).
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Fullerene is a material with good electrical conductivity and thermal stability, and its size is an important factor to influence its photoelectric property. In this work, effect of fullerene size (C20, C60, and C70) on nonlinear optical (NLO) switchable molecule diarylethene (DAE) was explored. In the aspect of molecular NLO properties, it could b...
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The compact and broadband optical switch with a large port count is demanded with the increasing communication capacity. In this article, a universal method for modeling the 1 × N switch using multimode interferometer (MMI) through transmission matrixes is proposed. Herein, the reasons for the narrowing of the operating bandwidth switch are analyze...
Citations
... Since last few years, many reports have been published regarding the synthesis and designing of NLO materials [5][6][7][8][9][10][11][12]. NLO is a field of optics that defines the behavior of light in a medium, in which the polarization density behaves non-linearly toward electric field of coming light [13]. ...
Density functional theory (DFT) calculations are used to analyze the change in nonlinear optical (NLO) response, electronic and geometric properties of the Li based superalkalis doped C24 nanocage. It was observed that the adsorption of Li4N, Li3O and Li2F superalkalis on C24 nanocage results in thermodynamically stable isomers (A-F). The energy gap between the highest occupied and the lowest unoccupied molecular orbitals (GH-L) is reduced after superalkalis doping on carbon (C24) nanocage. Density of states spectra depict the strong contribution of superalkalis in HOMOs of the considered complexes. Natural bond orbital (NBO) charge analysis showed that the charge is being transferred from superalkali toward C24 nanocage. The values of polarizability (α o ) and hyperpolarizability (β o ) showed that doping of superalkalis on C24 has a significant effect on its NLO response, resulting in a considerable increase in values of α o and β o . Li4N@C24 isomer E showed the highest β o value of 6470.74 au. Time dependent density functional theory (TD-DFT) calculations are implemented to analyze the absorption spectra. This research provides unique and highly efficient superalkalis doped C24 isomers for their applications in future electronic devices.
