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991.
Jeonghee Seong Jong Keun Park Hosung Sun 《International journal of quantum chemistry》1996,57(1):79-87
The transition electric dipole moments between low-lying valence states of NH+ are calculated by an ab initio effective valence-shell Hamiltonian (Hv) method. The Hv calculated transition moments are found to be in good agreement with those by other accurate ab initio methods. The spontaneous emission probabilities for the A2− → X2Π, B2Δ → X2Π, and C2−+ → X2Π transitions of NH+ are computed. Also, radiative lifetimes for A2∑−, B2Δ, and C2∑+ states are all theoretically determined using the potential energy functions by Hv. Also, the Hv results are well compared with those computed using the Morse potentials and the rkr potentials which are obtained from experimental data. © 1996 John Wiley & Sons, Inc. 相似文献
992.
Hye Ri Kim Daae Lee Ga Hyeon Lee Seong Kyun Kim Seong Jin Choi Ee Taek Hwang Anoth Maharjan Beom Soo Kim Dongyoung Kim Jong Hoon Joo 《Particle & Particle Systems Characterization》2019,36(9)
To elucidate the origin of antibacterial activity of ZnO nanoparticles, a reactive oxygen species (ROS) mechanism is systematically investigated based on electronic and protonic conductions. While the enhancement of antibacterial activity by an increase in electronic conductivity is marginal, an apparent improvement is observed by in the increase of protonic conductivity in terms of the surface basicity. This study first demonstrates that antibacterial activity can be enhanced by controlling the surface basicity of solid particles. The basicity of ZnO can be modulated by doping alkaline‐earth oxides such as MgO and CaO, and it results in the increase of hydroxyl defects on the surface of solid particles. The basicity shows a strong dependency on mobile OH concentrations. The increase of ROS hydroxyl radicals is confirmed by Mg (ZMO) or Ca‐doping (ZCO), which shows high antibacterial activity, and Ca‐doped ZnO exhibits the highest performance. It is clearly observed that the antibacterial activity is proportional to the basicity, which is controlled by the mobile OH formation. While both electrons and hydroxyl species are required for ROS reactions, it is concluded that the formation of hydroxyl species is a key factor in improving the antibacterial activity in ZnO. 相似文献
993.
Hui Hun Cho Su Ji Kim Ali Turab Jafry Byoungsang Lee Jun Hyuk Heo Seokyoung Yoon Sun Hwan Jeong Seong‐Il Kang Jung Heon Lee Jinkee Lee 《Particle & Particle Systems Characterization》2019,36(6)
Although nanoparticles (NPs) can be carefully engineered to have maximal stability and functionality desirable for use in diverse applications, they are generally not suitable for long‐term storage in solution. It is also difficult to store NPs in a dry state because dried NPs generally become aggregated and cannot easily be redispersed. Thus, a new strategy allowing long‐term storage of NPs with high stability, redispersibility, and functionality is highly demanded. By passivating the 13 nm gold nanoparticle (AuNP) surface with stabilizing agents and treating a paper substrate with both bovine serum albumin and sucrose after coating with a hydrophobic polyvinyl butyral layer, it is possible to fully redisperse (≈100%) dried AuNPs with colloidal stability comparable to that of as‐prepared AuNPs. Furthermore, AuNPs physically stabilized with polyvinylpyrrolidone can react with thiol‐containing compounds, such as 1,4‐dithiothreitol (DTT). Taking advantage of the oxidation reaction of hypochlorous acid with DTT, it is possible to demonstrate a paper‐based colorimetric sensor for detection of residual chlorine in water. Since this strategy is applicable to large‐sized AuNPs (30–90 nm), silver NPs, oleic acid‐capped magnetic NPs, and cetrimonium bromide‐passivated gold nanorods, it can be used for diverse NPs requiring long‐term storage for many applications. 相似文献
994.
Jaeyoung Hwang Seung Heon Lee Myong Yong Choi Kang Yeol Lee 《Current Applied Physics》2019,19(6):762-767
A simple method for synthesizing the BixPdy bimetallic particles is described. The structure, composition distribution and size of synthesized BixPdy bimetallic particles were characterized using a number of analytical techniques. The Bi:Pd atomic ratio (x:y) of the nanoparticles was determined to be approximately 1:3 (Bi24Pd76), 1:1 (Bi54Pd46) and 3:1 (Bi74Pd26). The (111) diffraction peaks within the X-ray diffraction patterns of the bimetallic nanoparticles shifted from 39.9° to 38.5° as the Bi content increased from 0% to 75%. The d-spacings calculated from the 2θ data of (111) planes were 2.33, 2.34, 2.32 and 2.26 nm for nanoparticles with a Bi:Pd atomic ratio of 3:1, 1:1, 1:3 and 0:1 respectively. The crystalline properties of the surface of the BixPdy bimetallic nanoparticles were observed in high-resolution transmission electron microscopy analysis. The d-spacings between the adjacent lattice planes were measured on the surface of BixPdy bimetallic nanoparticles by averaging 10 lattice fringes distance. A regular face-centered cubic lattice was observed throughout the prepared BixPdy bimetallic nanoparticles. The lattice d-spacing of the Bi3Pd1, Bi1Pd1 and Bi1Pd3, bimetallic nanoparticles was approximately 2.34, 2.33 and 2.32 Å, respectively, which can be indexed to the (111) planes. These measurements correspond to the values calculated using the Bragg equation (d = nλ/2sinθ). The catalytic activity of BixPdy bimetallic nanoparticles was determined for the nitro compound reduction and Suzuki-Miyaura coupling reactions under green conditions (in an aqueous solution). Bi1Pd3 nanoparticles were shown to provide the best catalytic performance during both reactions, resulting in a yield of 98% in both cases. 相似文献
995.
We have investigated effects of surface hydrogenation on the topological properties of multilayer graphene by using density functional theory calculations and a tight-binding model. Hydrogen adsorption on a dimer site of a surface layer decouples the surface layer from the rest of the layers. Hydrogen adsorption on a nondimer site introduces a band mixing between the hydrogenated graphene and the rest of the graphene layers. The valley Hall effects and spin-valley-resolved Chern numbers of multilayer graphene, calculated as a function of the sublattice potential and the potential perpendicular to the layers, was found to be sensitive to details of inversion symmetry-breaking potentials. While the topological invariant depends on the adsorption site and spin polarization, surface-hydrogenated M-layer graphene was found to be topologically equivalent to (M-1)-layer graphene under inversion symmetry-breaking potentials regardless of the adsorption site. 相似文献
996.
Gu Jun Hwang Tzonelih Tsai Chia-Wei 《International Journal of Theoretical Physics》2019,58(7):2341-2345
Recently, Liu (Int J Theor Phys: pp.1–6, 2018) pointed out that Song et al.’s multiparty quantum direct secret sharing protocol (Int J Theor Phys: 57, 1559, 2018) suffers from several attacks and then an improved quantum direct secret sharing protocol was hence proposed. However, this study shows that Liu’s protocol still suffers from an intercept-resend attack. To solve this problem, a modification is proposed here.
相似文献997.
We establish the boundedness and continuity of parametric Marcinkiewicz integrals associated to homogeneous compound mappings on Triebel-Lizorkin spaces and Besov spaces. Here the integral kernels are provided with some rather weak size conditions on the unit sphere and in the radial direction. Some known results are naturally improved and extended to the rough case. 相似文献
998.
Highly Bright and Photostable Li(Gd,Y)F4:Yb,Er/LiGdF4 Core/Shell Upconversion Nanophosphors for Bioimaging Applications 下载免费PDF全文
Jeehae Shin Youngsun Kim Jiyeon Lee Sehoon Kim Ho Seong Jang 《Particle & Particle Systems Characterization》2017,34(1)
Intense green‐emitting Li(Gd,Y)F4:Yb,Er/LiGdF4 core/shell (C/S) upconversion nanophosphors (UCNPs) with a tetragonal bipyramidal morphology are synthesized. The morphology and UC luminescence of the Li(Gd,Y)F4:Yb,Er UCNPs are significantly affected by the Li precursors, and bright UC green‐emitting Li(Gd,Y)F4:Yb,Er UCNPs with a tetragonal bipyramidal shape, i.e., UC tetragonal bipyramids (UCTBs), are synthesized using LiOH·H2O as a Li precursor. A LiGdF4 shell is grown on the Li(Gd,Y)F4:Yb,Er UCTBs, and the C/S UCNPs exhibit 4.7 times higher luminescence intensity than core UCTBs. The C/S UCNPs show a high absolute UC quantum yield of 4.6% under excitation with 980 nm near infrared (NIR) light, and the UC luminescence from the C/S UCNPs is stable under continuous irradiation with the 980 nm NIR laser for 1 h. The hydrophobic surfaces of the as‐synthesized C/S UCNPs are modified to hydrophilic surfaces by using poly(acrylic acid) (PAA) for bioimaging applications. They are applied to human cervical adenocarcinoma (HeLa) cell imaging and SK‐MEL‐2 melanoma cell imaging and in vivo imaging, including subcutaneous and intramuscular imaging, and UC luminescence images with high signal‐to‐noise ratio are obtained. Furthermore, sentinel‐lymph‐node imaging is successfully conducted with the PAA‐capped Li(Gd,Y)F4:Yb,Er/LiGdF4 C/S UCNPs under illumination with NIR light. 相似文献
999.
The modified analytic embedded atom model (EAM) potentials considering farther neighbor atoms are improved for the noble metals (Ag, Au, Pt, Pd, Rh) and Cu. We not only adopt an end processing function and an enhanced smooth continuous condition for the pair potential, but also adjust the model parameters of multi-body potential by fitting a cohesive energy, a mono-vacancy formation energy, the Rose equation curve for the cohesive energy as a function of lattice parameter, a structure energy difference, elastic parameters and an equilibrium condition of crystal. The calculation results of structure energy differences misfit the experiment data for the noble metals and Cu in the unimproved EAM, because anyone of these differences have not been considered in the calculation of its model parameters. After the modification, the model showed better simulation results for the noble metals and Cu. 相似文献
1000.
We considered a Bak-Sneppen model on a Sierpinski gasket fractal. We calculated the avalanche size distribution and the distribution of distances between subsequent minimal sites. To observe the temporal correlations of the avalanche, we estimated the return time distribution, the first-return time, and the all-return time distribution. The avalanche size distribution follows the power law, P(s)∼s−τ, with the exponent τ=1.004(7). The distribution of jumping sites also follows the power law, P(r)∼r−π, with the critical exponent π=4.12(4). We observe the periodic oscillation of the distribution of the jumping distances which originated from the jumps of the level when the minimal site crosses the stage of the fractal. The first-return time distribution shows the power law, Pf(t)∼t−τf, with the critical exponent τf=1.418(7). The all-return time distribution is also characterized by the power law, Pa(t)∼t−τa, with the exponent τa=0.522(4). The exponents of the return time satisfy the scaling relation τf+τa=2 for τf?2. 相似文献