First-principle study on the optical response of phosphorene

The optical response of phosphorene nanostructures was studied using time-dependent density functional theory (TDDFT). Compared with the absorption spectrum of graphene, that of the phosphorene nanostructure exhibits high absorbance in the ultraviolet region, which indicates a high light absorptivity. In a low-energy resonance zone, a spectral band extends to the entire near-infrared regions. When the impulse excitation polarizes in the armchair-edge direction, the low-energy plasmon in a few-layer phosphorene nanostructure shows an apparent long-range charge-transfer excitation but is significantly less pronounced along the zigzag-edge direction. The edge configuration significantly affects the absorption spectrum of monolayer phosphorene nanostructures. The armchair-edge and the zigzag-edge serve different functions in the absorption spectrum. Moreover, the absorption spectrum of the few-layer phosphorene nanostructure changes with the number of layers when the impulse excitation polarizes in the armchair-edge direction. In addition, the change in the low-energy resonance zone is significantly different from that in the high-energy resonance zone.     

Formation of antireflection nanostructure for silicon solar cells using catalysis of single nano-sized silver particle

Antireflection nanostructure was formed by simple wet chemical etching using catalysis of silver (Ag) nanoparticle. Single nano-sized Ag particle dispersion solution was coated onto Si(1 0 0) substrate with polished surface. Then, the samples were soaked in an aqueous etching solution of hydrofluoric acid and hydrogen peroxide. The surface of 9-min-etched Si substrate appeared black, and the reflectivity was reduced to below 5% throughout the entire spectrum from 200 to 1000 nm owing to the formed nanostructure. The absorption was significantly increased after the formation of antireflection structure with 9 min etching, and the conversion efficiency of solar cell with antireflection structure increased from 8.25 to 10.0% owing to the increase of short-circuit current.     

Indirect to direct gap transition in low-dimensional nanostructures of Silicon and Germanium

The electronic band structures of Si and Ge low-dimensional nanostructure such as nanofilms and nanowires have been calculated using first principles based on density functional theory (DFT) with the generalized gradient approximation (GGA). The calculation results show that a direct band gap can be obtained from Si orientation [100] or in Ge orientation [111] confined low dimensional nanostructure. However, an indirect band gap is still kept in the Si orientation [111] or in the Ge orientation [110] confined low dimensional nanostructure. The calculation results are interesting and the transition mechanism from indirect to direct band gap in low dimensional nanostructures is given in the physical structures model.     

Fe3O4 nanoparticle loaded paclitaxel induce multiple myeloma apoptosis by cell cycle arrest and increase cleavage of caspases in vitro

We experimentally and theoretically characterize back-scattering and extinction of Ag nanoparticle (AgNP) arrays on both Si wafer substrates and optically-thick Ag substrates with and without organic poly(3-hexylthiophene):[6,6]-phenyl C61-butyric acid methyl ester (P3HT:PCBM) bulk-heterojunction thin film coatings. A strong red-shift in back-scattered light wavelength occurs from AgNP arrays on Si as a function of increasing mean nanoparticle diameter (ranging from 30 to 90 nm). Back-scattering from the AgNP array is notably quenched in the wavelength range of strong P3HT absorption when the organic layer is applied. However, back-scattering is enhanced to a degree relative to the uncoated AgNP array on Si at wavelengths greater than the absorption band edge of P3HT. For comparison, the optical properties of AgNPs on an optically-thick Ag substrate are reported with and without P3HT:PCBM thin film coatings. On the reflective Ag substrates, a significant enhancement (by a factor of 7.5) and red-shift of back-scattered light occurred upon coating of the AgNPs with the P3HT:PCBM layer. Additionally, red-edge extinction was enhanced in the P3HT:PCBM layer with the presence of the AgNPs compared to the planar case. Theoretical electromagnetic simulations were carried out to help validate and explain the scattering and extinction changes observed in experiment. Both increasing nanoparticle size and an increasing degree of contact with the Si substrate (i.e., effective index of the nanoparticle environment) are shown to play a role in increasing back- and forward-scattering intensity and wavelength, and in increasing absorption enhancements in both the organic and Si layers. AgNPs placed at the P3HT:PCBM/Si interface give rise to absorption increases in P3HT of up to 18 %, and only enhance Si absorption at wavelengths longer than the absorption band edge of P3HT (by almost 90 % in the 660–1,200 nm wavelength range). These results provide insight into how metal nanoparticles placed near an organic/inorganic interface can be employed for light management in tandem or hybrid organic/inorganic thin-film semiconductor configurations for solar energy harvesting applications or light detection applications.     

Interaction of gold nanoparticles with bovine serum albumin

The interaction between gold nanoparticles and bovine serum albumin (BSA) in aqueous solutions was studied. The formation of nanoparticle—BSA associates was demonstrated, which is expressed in a bathochromic shift of the surface plasmon resonance band by 5–6 nm in the absorption spectrum. The results were approximated using the Drude model for metal spheres. The thickness of the dielectric (protein) shell of the nanoparticle and its permittivity (refractive index) were calculated.     

Dynamics of charge transfer at Au/Si metal-semiconductor nano-interface

An ab initio analysis of the periodic array of Au/Si nanostructure composed of gold clusters linked to silicon quantum dot (QD) co-doped by aluminium and phosphorus along [111] direction is presented in this paper. The density functional theory (DFT) is used to compute the electronic structure of the simulated system. Non-adiabatic coupling implemented in the form of dissipative equation of motion for reduced density matrix is used to study the phonon-induced relaxation in the simulated system. The density of states clearly shows that the formation of Au–Si bonds contributes states to the band gap of the model. Dynamics of selected photo-excitations shows that hole relaxation in energy and in space is much faster than electron relaxation, which is due to the higher density of states of the valence band.     

钕敏化多层壳纳米结构的增强型染料敏化上转换发光

对于稀土离子掺杂的上转换发光,由于稀土离子吸收截面小、吸收范围窄,导致其发光强度受限。最近,在稀土上转换纳米粒子的表面连接近红外染料分子敏化发光,被证实是提高上转换发光强度的有效策略。然而,将染料分子连接经典的稀土Yb掺杂纳米粒子,并不能有效利用染料分子的敏化能力。针对这一问题,本文通过高温热分解法成功制备了Nd³⁺敏化的核/壳/壳(NaYF₄:Yb/Er(20/2%)@NaYF₄:Yb(10%)@NaYF₄:Nd(80%))纳米结构,与经典的IR-806敏化的NaYF₄:Yb/Er纳米结构相比,IR-806敏化的Nd³⁺掺杂的核/壳/壳纳米结构的上转换发光(500~700 nm)强度增强了约38倍。通过荧光光谱及荧光寿命分析证实,上转换发光强度增强源于Nd的吸收与近红外染料分子的有效交叠,以及壳层结构对发光中心的保护作用(Er³⁺(⁴S_3/2→⁴I_15/2)的寿命延长了1.7倍)。另外,研究发现纳米壳层结构中最外层掺杂的Yb³⁺离子将导致染料敏化发光减弱。进一步,这种IR-806敏化的Nd掺杂的核/壳/壳纳米结构可实现增强发光中心为Ho及Tm的上转换发光。本文研究为提高染料敏化上转换发光及应用提供了新途径。     

Effect of dielectric coating on the sensing capability of gold nanorods based on plasmonic band widening

The dielectric coating-induced widening of the longitudinal surface plasmon resonance (SPR) band of gold nanorods was investigated theoretically. The line width of the longitudinal SPR could be enlarged by increasing the thickness or the dielectric constant of the coated dielectric shell. The corresponding physical origin has been illuminated by the dielectric coating-enhanced anisotropic distribution of the surface charge. This dielectric coating-dependent widening of the longitudinal SPR presents a new biologic sensing picture based on tuning the line width of the plasmonic absorption band of metallic nanostructure.     

Double-layered nanoparticle stacks for spectro-electrochemical applications

Here we present a surface based on double-layered nanoparticle stacks suitable for spectro-electrochemical applications. The structure is formed on a continuous gold layer by a two-dimensional periodic array of stacks of gold and tantalum pentoxide nanodisks. Reflection spectra in the visible wavelength region showed the multiple-resonant nature of surface plasmon (SP) excitations in the nanostructure, which is in good agreement with simulations based on a finite-difference-time-domain method. The multiple SP resonances can be tuned to various wavelength regions, which are required for simultaneous enhancement at excitation and emission wavelengths. Cyclic voltammetry measurements on the nanostructure proved the applicability of electrochemical methods involving interfacial redox processes.     

Plasmonic enhancement of four-particle radiative recombination in SiGe quantum wells

The influence of gold nanoparticles deposited on the surface of a Si_0.95Ge_0.05/Si quantum-well heterostructure with a thin Si cap layer on the spectra of low-temperature recombination radiation of biexcitons and an electron–hole liquid confined in the quantum well is investigated. The spectra of both visible and near-infrared radiation are recorded from a region on the sample surface without nanoparticles and regions coated with nanoparticles of different areal densities. It is found that the presence of gold nanoparticles causes strong plasmonic enhancement of collective emission processes in which two holes simultaneously recombine with two electrons from opposite valleys of the conduction band, with the energy of the four particles being transferred to a single photon in the visible spectral range.     

Highly enhanced broadband infrared absorption of germanium by multi-layer plasmonic nano-antenna

High-sensitivity and broad bandwidth photo-detector devices are important for both fundamental studies and high-technology applications. Here, by using three-dimensional （3D） finite-difference time-domain simulation, we design an optimized 3D multi-layer gold nano-antenna to enhance the near-infrared （NIR） absorption of germanium nanoparticles. The key ingredient is the simultaneous presence of multiple plasmonic resonance modes with strong light-harvesting effect that encompass a broad bandwidth of germanium absorption band. The simulation results show more than two orders of magnitude enhanced absorption efficiency of gernanium around 1550 nm. The design opens up a promising way to build high-sensitivity and broad bandwidth NIR photo-detectors.     

Electromodulation of the interband and intraband absorption of Ge/Si self-assembled islands

We have investigated the interband and the intraband absorption properties of Ge/Si self-assembled islands. The investigated structure consists of a p–i–n junction containing Ge/Si self-assembled islands embedded in a Si_0.98Ge_0.02 waveguiding layer. The variation of transmission associated with carrier injection under forward bias is monitored both in the near-infrared and in the mid-infrared spectral ranges. We show that the carrier injection leads to an absorption resonant at 185 meV which is polarized along the growth axis of the islands. This transition corresponds to an intraband optical transition from the island ground states to the two-dimensional wetting layer states. This assignment is supported by a two-dimensional band structure calculation performed in a 14 band k·p formalism. Meanwhile, the carrier injection leads to a bleaching of the interband absorption. We show that this electroabsorption spectroscopy is a useful tool for the study of self-assembled islands that is complementary of standard photoluminescence, electroluminescence or absorption spectroscopies.     

Pulsed-laser generation of gold nanoparticles with on-line surface plasmon resonance detection

Size of nanoparticles is an important parameter for their applications. The real-time monitoring is required for reliable and reproducible production of nanoparticles with controllable size. We present results of our research on development of the system for the online nanoparticle characterization during their production by a laser. The laser ablation chamber which allows measurements of surface plasmon resonance spectra during the nanoparticle generation process has been designed and fabricated. The online characterization system was tested by producing and modification of gold nanoparticles. Nanoparticles were generated by nanosecond-laser (wavelength 1064 nm) ablation of gold target in deionized water, and optimal conditions for the highest nanoparticle productivity were estimated. The mean diameter of nanoparticles was determined using their absorption spectra measured in the real-time during the ablation experiments and from the TEM images analysis, and it varied from 20 to 45 nm. The mismatch between nanoparticle diameters, estimated using these two methods, is due to the polydispersity of the generated nanoparticles. The further experiments of laser-induced modification of colloidal gold nanoparticles were carried out using second harmonic (wavelength 532 nm) of nanosecond Nd:YAG laser and alteration in nanoparticle size were acquired by the online measurement system.     

Vapor phase synthesis and characterization of bimetallic alloy and supported nanoparticle catalysts

The laser vaporization controlled condensation (LVCC) technique coupled with a differential mobility analyzer (DMA) is used to synthesize size-selected alloy nanoparticles and nanoparticle catalyst systems. The formation of Au–Ag alloy nanoparticles is concluded from the observation of only one plasmon band. The maximum of the plasmon absorption is found to vary linearly with the gold mole fraction. For the Au–Pd system, the XRD data confirms the formation of the alloy nanoparticles with no evidence of any of the pure components. The Au/CeO₂ nanoparticle catalyst prepared by the LVCC method is a promising catalyst for low temperature CO oxidation due to its high activity and stability.     

Polymerization of Silicon-Doped Heterofullerenes： an Ab Initio Study

We perform the calculations on geometric and electronic structures of Si-doped heterofullerene C5oSi10 and its derivatives, a C40Si20-C40Si20 dimer and a C40Si20-based nanowire by using density-functional theory, The optimized configuration of the C40Si20-based nanowire exhibits a regular dumbbell-shaped chain nanostructure. The electronic structure calculations indicate that the HOMO-LUMO gaps of the heterofullerene-based materials can be greatly modified by substitutionally doping with Si atoms and show a decreasing trend with increase cluster size. Unlike the band structures of the conventional wide band gap silicon carbide nanomaterials, the C40Si20- based nanowire has a very narrow direct band gap of 0.087eV.     

Broadband visible light absorber based on ultrathin semiconductor nanostructures

It is desirable to have electromagnetic wave absorbers with ultrathin structural thickness and broader spectral absorption bandwidth with numerous applications in optoelectronics. In this paper, we theoretically propose and numerically demonstrate a novel ultrathin nanostructure absorber composed of semiconductor nanoring array and a uniform gold substrate. The results show that the absorption covers the entire visible light region, achieving an average absorption rate more than 90% in a wavelength range from 300 nm to 740 nm and a nearly perfect absorption from 450 nm to 500 nm, and the polarization insensitivity performance is particularly great. The absorption performance is mainly caused by the electrical resonance and magnetic resonance of semiconductor nanoring array as well as the field coupling effects. Our designed broadband visible light absorber has wide application prospects in the fields of thermal photovoltaics and photodetectors.     

Control of plasmon resonance of gold nanoparticles via excimer laser irradiation

A significant shift of the surface plasmon resonance absorption spectrum of gold nanoparticles was obtained by the oxidation of the nanoparticle surface via pulsed excimer laser irradiation. The high UV-light absorption of gold nanoparticles chemically produced by citrate reduction led to the important surface oxidation up to 26%. As a result of laser irradiation, the gold/gold oxide core-shell nanoparticles with little variation of the nanoparticle size were produced. After only 5 min of laser irradiation, a 12-nm blue shift in surface plasmon resonance was obtained. The possible mechanisms governing the modification in surface plasmon resonance by laser irradiation of gold nanoparticles were discussed.     

基于磁激元效应的石墨烯-金属纳米结构近红外吸收研究

石墨烯作为一种单层碳原子二维材料,在可见光和近红外波段吸收率只有2.3%左右,这限制了石墨烯在光电探测、光电调制等领域的应用.本文基于纳米超材料结构的磁激元共振效应,设计了一种金属-绝缘层-金属-石墨烯混合二维浅光栅结构,通过设计混合二维浅光栅结构尺寸来改变石墨烯化学势,实现了石墨烯在近红外波段的吸收增强和调制.利用有限元仿真和等效电路模型,系统地分析了非正入射、结构参数和石墨烯化学势对吸收特性的影响.研究结果表明,混合二维浅光栅结构的磁激元共振效应可以明显提升石墨烯在近红外波段的吸收率,并且对入射角度和极化方向不敏感.在特定结构参数下,混合二维浅光栅结构在1480nm处吸收率达到了85%,其中石墨烯的吸收率为55%,提升了24倍;通过调控石墨烯化学势从0.1eV增大到1.0eV,分别实现了不同结构尺寸下54.8%,50.3%,46.8%的反射率调制深度.     

SERS activity of Au nanoparticle films

The core-shell gold nanoparticle film is fabricated by using nanolithography and self-assembly monolayer technology. The film exhibits unique optical properties and has strong surface enhanced Raman scattering （SERS） activity. The relationship between nanostructure and surface electrical field is studied by employing pyridine as the SERS probe. It is found that particle size and inter-particle space are important factors. The enhancement ratio is measured to be more than 10^4.     

High-intensity near-field generation for silicon nanoparticle arrays with oblique irradiation for large-area high-throughput nanopatterning

We present near-field distributions around an isolated 800-nm silica or silicon nanoparticle, and nanoparticle arrays of 800-nm silica or silicon nanoparticles, on a silicon substrate by the finite-difference time-domain method when 800-nm light is irradiated obliquely to the substrate. Nanopatterning mediated with the nanoparticle system is promising for large-area, high-throughput patterning by using an enhanced localized near-field ablation by the nanoscattered light lens effect. The irradiation area cannot be extended for silica nanoparticles, because the optical field enhancement factor is low. Gold nanoparticles can generate highly enhanced near fields, although at present there are no useful ways to arrange the gold nanoparticles on the substrate at a high throughput. Silicon nanoparticles with high dielectric permittivity have optical characteristics of both silica and gold nanoparticles. The particle arrangement on the Si substrate is technically easy using a wet pulling process. From the calculation, high optical field intensity is acquired with oblique s-polarized irradiation to the substrate under silicon nanoparticle arrays, and the intensity is almost the same as that under gold nanoparticle arrays under the same condition. With this method, high-throughput nanopatterning for a large area would be achievable.