The Experts below are selected from a list of 360 Experts worldwide ranked by ideXlab platform
Xiaona Liu - One of the best experts on this subject based on the ideXlab platform.
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tailoring the third order Nonlinear Optical Property of a hybrid semiconductor quantum dot metal nanoparticle from saturable to fano enhanced absorption
Journal of Physical Chemistry Letters, 2019Co-Authors: Xiaona Liu, Nuttawut Kongsuwan, Dongxing Zhao, Ortwin Hess, Xinhui ZhangAbstract:Semiconductor-metal hybrid nanostructures present an exotic class of Nonlinear Optical materials due to their potential optoelectronic applications. However, most studies to date focus on their total Optical responses instead of contributions from individual Nonlinear orders. In this Letter, we present a theoretical study on the third-order Nonlinear Optical absorption of a hybrid colloidal semiconductor quantum dot (SQD)–metal nanoparticle (MNP) system. We develop a novel analytic treatment based on the Nonlinear density matrix equation and derive a closed-form expression for the Optical susceptibility. Our study identifies the parameter space that governs the system’s Optical transition from being a saturable absorber to a Fano-enhanced absorber. We attribute this transition to the plasmon-mediated self-interaction of the SQD. The findings provide a valuable guideline for optimized designs of functional nanophotonic devices based on SQD–MNP hybrid structures.
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tailoring the third order Nonlinear Optical Property of a hybrid semiconductor quantum dot metal nanoparticle from saturable to fano enhanced absorption
Journal of Physical Chemistry Letters, 2019Co-Authors: Xiaona Liu, Nuttawut Kongsuwan, Dongxing Zhao, Ortwin Hess, Xinhui ZhangAbstract:Semiconductor-metal hybrid nanostructures present an exotic class of Nonlinear Optical materials due to their potential optoelectronic applications. However, most studies to date focus on their tot...
Xinhui Zhang - One of the best experts on this subject based on the ideXlab platform.
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tailoring the third order Nonlinear Optical Property of a hybrid semiconductor quantum dot metal nanoparticle from saturable to fano enhanced absorption
Journal of Physical Chemistry Letters, 2019Co-Authors: Xiaona Liu, Nuttawut Kongsuwan, Dongxing Zhao, Ortwin Hess, Xinhui ZhangAbstract:Semiconductor-metal hybrid nanostructures present an exotic class of Nonlinear Optical materials due to their potential optoelectronic applications. However, most studies to date focus on their total Optical responses instead of contributions from individual Nonlinear orders. In this Letter, we present a theoretical study on the third-order Nonlinear Optical absorption of a hybrid colloidal semiconductor quantum dot (SQD)–metal nanoparticle (MNP) system. We develop a novel analytic treatment based on the Nonlinear density matrix equation and derive a closed-form expression for the Optical susceptibility. Our study identifies the parameter space that governs the system’s Optical transition from being a saturable absorber to a Fano-enhanced absorber. We attribute this transition to the plasmon-mediated self-interaction of the SQD. The findings provide a valuable guideline for optimized designs of functional nanophotonic devices based on SQD–MNP hybrid structures.
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tailoring the third order Nonlinear Optical Property of a hybrid semiconductor quantum dot metal nanoparticle from saturable to fano enhanced absorption
Journal of Physical Chemistry Letters, 2019Co-Authors: Xiaona Liu, Nuttawut Kongsuwan, Dongxing Zhao, Ortwin Hess, Xinhui ZhangAbstract:Semiconductor-metal hybrid nanostructures present an exotic class of Nonlinear Optical materials due to their potential optoelectronic applications. However, most studies to date focus on their tot...
Kimihiko Hirao - One of the best experts on this subject based on the ideXlab platform.
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Nonlinear Optical Property calculations of polyynes with long range corrected hybrid exchange correlation functionals
Journal of Chemical Physics, 2008Co-Authors: Jongwon Song, Mark A Watson, Hideo Sekino, Kimihiko HiraoAbstract:Polarizabilities (α), second-hyperpolarizabilities (γ), and the γ scaling factors (c) of polyynes [H–(C≡C)n–H, n=1–8] were evaluated using the long-range corrected (LC) density functional theory (DFT) and LC-DFT with a short-range Gaussian attenuation (LCgau), as well as high quality wavefunction methods. We show that the c values obtained from LC- and LCgau-DFT are consistent with those from CCSD(T) calculations. Furthermore, the polyyne c values we obtained are seen to be smaller than the c values derived from previously calculated polyene γ values [Sekino et al., J. Chem. Phys. 126, 014107 (2007)] in all the methods we consider. We compare our results with those obtained experimentally [Shepkov et al., J. Chem. Phys. 120, 6807 (2004).] from end-capped polyynes [i-Pr3Si—(C≡C)n—Sii-Pr3], which show larger c values for polyynes than polyenes. Our α and γ calculations with i-Pr3Si—(C≡C)n—Sii-Pr3 (n=4,5,6, and 8) show that i-Pr3Si— may participate in π molecular orbital delocalization, which can unexpectedl...
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Nonlinear Optical Property calculations of polyynes with long range corrected hybrid exchange correlation functionals
Journal of Chemical Physics, 2008Co-Authors: Jongwon Song, Mark A Watson, Hideo Sekino, Kimihiko HiraoAbstract:Polarizabilities (alpha), second-hyperpolarizabilities (gamma), and the gamma scaling factors (c) of polyynes [H-(C[triple bond]C)(n)-H, n = 1-8] were evaluated using the long-range corrected (LC) density functional theory (DFT) and LC-DFT with a short-range Gaussian attenuation (LCgau), as well as high quality wavefunction methods. We show that the c values obtained from LC- and LCgau-DFT are consistent with those from CCSD(T) calculations. Furthermore, the polyyne c values we obtained are seen to be smaller than the c values derived from previously calculated polyene gamma values [Sekino et al., J. Chem. Phys. 126, 014107 (2007)] in all the methods we consider. We compare our results with those obtained experimentally [Shepkov et al., J. Chem. Phys. 120, 6807 (2004).] from end-capped polyynes [i-Pr(3)Si-(C[triple bond]C)(n)-Sii-Pr(3)], which show larger c values for polyynes than polyenes. Our alpha and gamma calculations with i-Pr(3)Si-(C[triple bond]C)(n)-Sii-Pr(3) (n = 4, 5, 6, and 8) show that i-Pr(3)Si- may participate in pi molecular orbital delocalization, which can unexpectedly affect the c value. We also confirm the importance of molecular geometry in these Nonlinear Optical calculations. We find that while LC- and LCgau-DFT excellently reproduce experimental geometries and bond length alternation (BLA), MP2 optimized geometries have a BLA that is too short to be used for accurate alpha and gamma calculations.
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Nonlinear Optical Property calculations by the long range corrected coupled perturbed kohn sham method
Journal of Chemical Physics, 2005Co-Authors: Muneaki Kamiya, Hideo Sekino, Takao Tsuneda, Kimihiko HiraoAbstract:The long-range correction (LC) scheme for the exchange functional of density-functional theory (DFT) was combined with the coupled-perturbed Kohn–Sham (CPKS) method to calculate Nonlinear Optical response properties. By using this LC-CPKS method, we calculated the hyperpolarizabilities of typical molecules and the dipole moments, polarizabilities, and hyperpolarizabilities of push–pull π-conjugated systems: p-nitroaniline, 4-amino-4′-nitrostilbene, and α,ω-nitroaminopolyenes. It was found that the LC scheme clearly improved the calculation of these Optical properties for all of these systems, which have been significantly overestimated by conventional DFTs. We therefore concluded that the long-range exchange interaction played an important role in calculating the Optical properties using the DFT formalism.
Guoyu Yang - One of the best experts on this subject based on the ideXlab platform.
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polar polymorphism β ca2 b5o8 oh 2 b oh 3 h2o synthesis structure and Nonlinear Optical Property
Journal of Solid State Chemistry, 2021Co-Authors: Qiming Qiu, Chongan Chen, Kening Sun, Guoyu YangAbstract:Abstract The hydrothermal reaction of H3BO3, CaCO3 and H2O led to a new polar polymorphs borate, β-Ca2[B5O8(OH)]2[B(OH)3]·H2O (β-CBO). It represents the first example of alkaline-earth metal borate with the polymorph being polar one under mild hydrothermal reaction. Compared with compound α-CBO (monoclinic system) which we have synthesized before, β-CBO crystallizes in the lower triclinic system with polar space group P1. The arrangement of β-CBO is –AAAA– sequence, while α-CBO is –ABAB– sequence. Further, β-CBO is type-I phase matchable with second-harmonic generation (SHG) responses of ~1.8 times of KH2PO4 (KDP), which is larger than α-CBO (~1.3 times of KDP). The dipole moments calculations show that the larger dipole moments make β-CBO exhibit a relatively larger SHG response.
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lik b5o8 oh 1 5h2o a novel lithium borate with Nonlinear Optical Property
Inorganic Chemistry Communications, 2019Co-Authors: Guoyu YangAbstract:Abstract A new acentric borate of LiK[B5O8(OH)]·1.5H2O (1) has been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction, powder X-ray diffraction (PXRD), IR spectroscopy, thermogravimetric analysis (TGA) and UV spectrum, respectively. The structural analysis shows that 1 crystallizes in the orthorhombic space group C2221 with a = 6.6403(4) A, b = 11.7638(9) A, c = 20.5334(13) A, and Z = 2. In the structure 1, the structural building unit, B5O10(OH) cluster, connects with four same ones to form 2-D [B5O8(OH)]n2n- layer with nine-member ring windows. Furthermore, the 2-D layers packed in the -ABCD- mode, which is an unprecedented stacking-mode in layered borates. Second-harmonic generation (SHG) measurements on the powder samples reveal that 1 exhibits SHG efficiency approximately 1.3 times that of KH2PO4 (KDP). Also it has a UV cutoff edge below 200 nm.
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a novel lead borate of napb4 h2o b5o9 2 bo3 with Nonlinear Optical Property
ChemInform, 2015Co-Authors: Guang Huang, Rui Pan, Baifeng Yang, Guoyu YangAbstract:Colorless transparent needle crystals of the new title compound are solvothermally synthesized from a mixture of H3BO3, Pb(OAc)2, NaOAc, DMF, and H2O with a molar ratio of 10:1:2:50:220 (autoclave, 170 °C, 5 d, 64% yield).
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a novel lead borate of napb4 h2o b5o9 2 bo3 with Nonlinear Optical Property
Inorganic Chemistry Communications, 2015Co-Authors: Guang Huang, Rui Pan, Baifeng Yang, Guoyu YangAbstract:Abstract A new mixed metal borate, NaPb4(H2O)(B5O9)2·BO3, with an acentric structure has been successfully made under hydrothermal conditions and structurally characterized by IR spectroscopy, powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA) and single-crystal X-ray diffraction, respectively. The structural analysis shows that 1 crystallizes in the orthorhombic space group Pnn2 (No. 34) with a = 11.3724(5) A, b = 11.4455(4) A, c = 6.5578(2) A and Z = 2. In the structure 1, the structural building unit, B5O12 cluster, connects adjacent six same ones to form a 3-D oxoboron framework with 8-membered ring (MR) and 10-MR channels along the c-axis. The Pb atoms and coordinated water molecules are located in the 8-MR channels, while the 10-MR channels were occupied by the chains built by Na atoms and the BO3 groups. Second-harmonic generation (SHG) measurements on the powder samples reveal that 1 exhibits SHG efficiency approximately 2 times that of KH2PO4 (KDP). Also it has a UV cutoff edge below 220 nm.
Nuttawut Kongsuwan - One of the best experts on this subject based on the ideXlab platform.
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tailoring the third order Nonlinear Optical Property of a hybrid semiconductor quantum dot metal nanoparticle from saturable to fano enhanced absorption
Journal of Physical Chemistry Letters, 2019Co-Authors: Xiaona Liu, Nuttawut Kongsuwan, Dongxing Zhao, Ortwin Hess, Xinhui ZhangAbstract:Semiconductor-metal hybrid nanostructures present an exotic class of Nonlinear Optical materials due to their potential optoelectronic applications. However, most studies to date focus on their total Optical responses instead of contributions from individual Nonlinear orders. In this Letter, we present a theoretical study on the third-order Nonlinear Optical absorption of a hybrid colloidal semiconductor quantum dot (SQD)–metal nanoparticle (MNP) system. We develop a novel analytic treatment based on the Nonlinear density matrix equation and derive a closed-form expression for the Optical susceptibility. Our study identifies the parameter space that governs the system’s Optical transition from being a saturable absorber to a Fano-enhanced absorber. We attribute this transition to the plasmon-mediated self-interaction of the SQD. The findings provide a valuable guideline for optimized designs of functional nanophotonic devices based on SQD–MNP hybrid structures.
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tailoring the third order Nonlinear Optical Property of a hybrid semiconductor quantum dot metal nanoparticle from saturable to fano enhanced absorption
Journal of Physical Chemistry Letters, 2019Co-Authors: Xiaona Liu, Nuttawut Kongsuwan, Dongxing Zhao, Ortwin Hess, Xinhui ZhangAbstract:Semiconductor-metal hybrid nanostructures present an exotic class of Nonlinear Optical materials due to their potential optoelectronic applications. However, most studies to date focus on their tot...
