基于富勒烯C_(60)结构体系的金纳米粒子合成物光学非线性研究

使用 5 32nm ,8ns激光脉冲研究了两种新型的基于富勒烯C6 0 结构体系的金纳米粒子合成物的光学非线性 .Z scan实验结果和理论分析的比较表明 ,材料的非线性吸收强烈地依赖于材料中的配合体 ,而非线性折射主要来自金纳米粒子的贡献 .而且与熟知的C6 0 甲苯溶液光限幅特性作了比较 ,分析了光限幅机理 .     

新型纳米合成物的光限幅特性研究

报道了基于富勒烯 C6 0 结构体系的零价金纳米粒子合成物的光限幅特性。使用 Z- scan技术对实验结果进行了分析。结果表明 ,材料的限幅机理主要起源于非线性吸收和吸收所致的非线性散射     

C60富勒烯-巴比妥酸及其二聚体几何结构和电子结构的密度泛函计算研究

采用基于密度泛函理论的广义梯度近似,对C₆₀富勒烯-巴比妥酸及其二聚体的几何结构和电子结构进行了计算研究.发现：C₆₀富勒烯-巴比妥酸只有一种稳定结构,且掺杂巴比妥酸基团对C₆₀分子构型的影响是局域的.C₆₀富勒烯-巴比妥酸的二聚体有三种同素异构体,分别以［6,5］—［6,5］,［6,6］—［6,5］和［6,6］—［6,6］三种方式键合,从能隙大小顺序和总能相对大小来看,［6,6］—［6,6］结构最为稳定.电子结构方面,在C₆₀富勒烯-巴比妥酸单体中,Donor-Acceptor电荷转移体系为C₆₀富勒烯-巴比妥酸,即电荷是从C₆₀向巴比妥酸转移.由前线轨道和自旋布居数得知,C₆₀富勒烯-巴比妥酸单体很好地保留了C₆₀的电磁性质,但稳定性下降,易发生二次加成反应形成二聚体.对于C₆₀富勒烯-巴比妥酸二聚体,Mulliken电荷分析显示,在加成四元环处的碳原子分别得到0104e和0106e电荷,而与它们邻近的碳原子则失去电子,带有正电荷,且距加成位置越近的碳原子失去的电荷越多.在远离加成位置处,碳原子的净电荷变化相对较小.与单体152eV能隙相比,二聚体中的能隙为1.45eV.其前线轨道分布与单体相比,最高占据轨道几乎未变,但最低未占据轨道发生了很大变化. 关键词： 几何结构 电子结构 密度泛函     

C40富勒烯分子的电子结构与传输特性研究

本文采用密度泛涵理论对富勒烯C₄₀分子进行了结构优化,得到了稳定构型,然后构建了以金原子面为电极的电子输运模型.使用非平衡格林函数方法对构建的电子输运模型进行了电子输运性质的计算,得到了电子透射谱和伏安曲线,并分析了分子器件产生电子输运性质的原因.研究结果发现:C₄₀富勒烯的化学活性明显强于富勒烯C₆₀和C₃₂分子,在一些分子能级处,该分子为一个良导体.     

富勒烯C20分子器件的电子结构和传导特性

运用基于密度泛函理论和基于非平衡格林函数的第一性原理方法研究了富勒烯C₂₀分子及连接电极构成的C₂₀分子器件的电子结构及电子输运性质.构建了三个基于C₂₀分子的嵌入K和Si原子的电子输运系统,并得到了电子透射谱和分子轨道分布.分析了三种器件的电子结构和输运性质的产生原因,说明C₂₀分子器件的电子传导主要集中在外壳.在C₂₀分子空笼中嵌入K和Si原子后,其电子输运仍然主要集中于富勒烯C₂₀的外壳. 关键词： 20分子')" href="#">富勒烯C₂₀分子 电子结构 电子传导     

基于富勒烯纳米结构材料光限幅特性研究

应用倍频Nd:YAG脉冲激光,在波长为532nm,脉宽8ns,重复频率10Hz的条件下,研究了新型基于富勒烯纳米结构材料(C₆₀-bpy-Au)的光限幅特性.实验结果表明,其限幅特性较C₆₀有所提高,初步分析了光限幅和溶剂效应.     

类富勒烯团簇发光性能的理论研究

热激活延迟荧光(TADF)作为一种特殊的分子荧光机制,对于提高发光效率有着重要意义.以C₆₀和C₇₀为代表的碳富勒烯具有高对称结构和离域π电子,被广泛证明具有显著的TADF效应;相比之下,其他类富勒烯团簇的光物理性质尚不清楚.本文利用含时密度泛函理论探索了一系列类富勒烯团簇的激发态性质,包括实验合成的具有不同尺寸的氮化硼笼型团簇B₁₂N₁₂, B₂₄N₂₄和B₃₆N₃₆,以及与B₁₂N₁₂结构相同、元素组成不同的B₁₂P₁₂, Al₁₂N₁₂和Ga₁₂N₁₂.计算结果表明,这些类富勒烯化合物团簇具有2.83—6.54 eV的能隙,主要吸收紫外光,荧光发射波长在可见光区间,包括红光、橙光、蓝光和紫光.它们的第一激发单重态和三重态的能量差较小(...     

密度泛函理论计算内掺氢分子富勒烯H2＠C60及其二聚体的几何结构和电子结构

采用密度泛函理论中的广义梯度近似(generalized gradient approximation,简称GGA),对内掺氢分子富勒烯H₂＠C₆₀及其二聚体的几何结构和电子结构进行了计算研究.发现无论是在H₂＠C₆₀单体,还是在其二聚体中,氢倾向以分子形式存在于碳笼中心处,且在室温下氢分子可以做自由旋转.电子结构分析表明,氢分子掺入到C₆₀和C₁₂₀中,仅对距离费米能级以下-8eV至-5eV能级处有一定的贡献,其他能级的分布和能隙几乎没有变化. 关键词： 几何结构 电子结构 密度泛函     

[二苯并18冠醚6]KC60里C60的取向有序与磁相关的13C NMR研究

报道了超分子材料[二苯并18冠醚6]KC₆₀是一种具有奇异磁特性的富勒烯衍生物,经¹³C NMR研究发现,C₆₀的取向有序与磁性之间存在着很强的相关性.     

飞秒激光作用下金掺杂硅酸盐玻璃的光致晶化研究

研究了金掺杂硅酸盐玻璃在飞秒激光辐照和热处理作用下的光致晶化行为，分析探讨了其机理和激光辐照条件的影响.吸收光谱测试表明玻璃内部析出金纳米颗粒. 金纳米颗粒掺杂玻璃在近共振纳秒脉冲作用下显示了强的光限幅效应, 且改变飞秒激光诱导参数可改变该复合玻璃的光学非线性. 关键词： 光致晶化 飞秒激光 金纳米颗粒 硅酸盐玻璃 光限幅     

Optical limiting action of C60 doped poly(dimethylacetylendicarboxylate)

The optical limiting action of poly(dimethylacetylendicarboxylate) polymer doped with fullerene C₆₀ has been investigated under irradiation with 10 ns laser pulses at 532 nm. The optical limiting measurements were performed at four different dopant concentrations. The threshold limiting fluence at 0.3 J/cm² was observed at high doping concentrations, with transmission of about 55%. An explanation based on the combination of two-photon absorption and reverse saturable absorption was proposed for its nonlinear optical absorption behavior.     

Novel Nanocomposites of Polypyrrole Doped with Fullerene C60

This paper reports on the structural, thermal, and dielectric properties of polypyrrole/fullerene C₆₀ nanocomposites synthesized by a interfacial polymerization method. Fourier transform infrared (FT-IR) and ultraviolet-visible (UV-vis) analyses clearly indicated the existence of interactions between polypyrrole (PPy) and the fullerene C₆₀ nanoparticles. Thermal analyses indicated that the extrapolated onset degradation temperature (T_deg) of PPy increased with increasing doping level. Scanning electron microscopy (SEM) images showed that the fullerene C₆₀ changed the morphology of PPy. Dielectric analyses showed a temperature dependent dielectric relaxation behavior. The relaxation time of the nanocomposites with high doping levels tended to increase with increasing temperature. This behavior of the polypyrrole/fullerene C₆₀ nanocomposites indicated that they could be used as a high temperature ultrasonic transducer.     

Optical limiting of near-IR radiation in a system based on magnesium phthalocyanine

Nanocrystals of magnesium phthalocyanine in the β-and X-crystalline forms and the magnesium phthalocyanine C₆₀ fullerene system are studied in the near-IR spectral region. The absorption spectra of new nanocomposites are measured. The possibilities of using these systems for optical limiting in the near-IR spectral region (at the wavelength λ=1047 nm) are investigated. The relation between the photoconductivity and nonlinear absorption of phthalocyanine in different crystalline forms is discussed.     

Optical limiting behavior of C60 doped ethylenepropylenediene polymethylene polymer

Optical limiting measurements on C₆₀ in toluene-ethylenepropylenediene polymethylene (EPDM) polymer blends and in EPDM polymer films at three different concentrations have been carried out. The measurements were undertaken using 532 nm wavelength, 10 ns pulses from a frequency-doubled Nd-YAG Laser. The results show that the optical limiting efficiency is concentration dependent and that the limiting efficiency for C₆₀ in toluene-EPDM polymer blends is better than in EPDM polymer film samples.     

Optical limiting action of C60 doped poly(ethylacetylenecarboxylate)

The optical limiting action of C₆₀ doped poly(ethylacetylenecarboxylate) polymer has been carried out using Pulse Nd-YAG laser at 532 nm as the source of excitation. The optical limiting measurements were performed at three different doping concentrations. The optical limiting efficiency of the C₆₀ doped poly(ethylacetylenecarboxylate) polymer was studied at various doping concentrations, the threshold limiting fluence at 0.15 J/cm² was observed with transmission of about 89%. An explanation based on the combination of two-photon absorption and reverse saturable absorption was proposed for its nonlinear optical absorption behavior.     

Reverse saturable absorption of a novel rhodamine-B cation fulleride salt at 532 nm

A novel rhodamine-B cation fulleride salt was synthesized by metathetical reaction. Its tetrahydrofuran solution was prepared and the fluence-dependent transmission was measured with 10-ns 532-nm laser pulses in a collimated optical setup. With increases in the input fluence, its transmittance decreased significantly, which indicated reverse saturable absorption behavior. For comparison, the input fluence-dependent transmittance of fullerene C₆₀ and rhodamine-B solution were also measured. The nonlinear optical limiting effect of the fulleride salt in tetrahydrofuran is slightly lower than that of C₆₀ in toluene and the explanations are provided. Received: 25 August 2000 / Accepted: 6 November 2000 / Published online: 3 April 2001     

Solvent-induced optical properties of C60

Different C₆₀ aggregates, i.e. nanoparticles, clusters of nanoparticles and microcrystals in room-temperature solutions, are reported to account for the colors of fluorescence emissions centered at 440, 575 and 700 nm, respectively. And the configurations of C₆₀ aggregation created in solutions are revealed to be closely associated with the characteristic interactions between C₆₀ and solvent molecules. On this basis, aggregation behaviors and thus induced optical properties of C₆₀ have been tentatively controlled through adopting solvent mixtures.     

Preparation, structure, and properties of metal nanocomposites in lithium niobate

Crystals of lithium niobate LiNbO₃ are implanted with 60-keV Cu^? ions at different ion fluxes to a fluence of 2 × 10¹⁷ ions/cm². The structure and the linear and nonlinear optical properties of the implanted layers are investigated. The optical transmission and ion-induced photon spectra of the LiNbO₃ crystals are measured in the course of implantation. It is revealed that the implantation brings about the formation of complex nanocomposites consisting of metallic copper nanoparticles and nanodomains of the matrix. The distributions of nanoparticles and nanodomains in the implanted layers do not correlate with each other. It is shown that the variations in the linear and nonlinear optical absorption of the nanocomposites are predominantly determined by the changes in the chemical composition and the structure of the matrix.