激光照射下富勒烯稳定性的研究

本文研究了富勒烯固体在较弱激光照射下随时间变化的拉曼光谱。结果表明 ,富勒烯固体在激光照射下随时间发生裂解形成石墨和无定形碳 ,同时发生了 C6 0 的光致聚合效应。     

脉冲激光-铜靶等离子体产生及其演化过程的瞬态光谱研究

应用时间分辨光谱技术, 研究了高能量纳秒脉冲激光作用下铜靶表面等离子体产生及演化的物理过程. 实验中相互作用区固-气-液三相对激光能量的吸收明显地反映于激光反射强度随时间的演化中, 使得靶表面物质形态的改变导致激光反射强度随时间呈双峰分布.同时, 随着激光峰值功率密度的增加, 靶面等离子体(气)-固-液相变发生的时间相应提前.因此, 这些瞬态性质是诊断激光-固体靶相互作用中靶面物质相变时间的有效方法.     

长脉冲keV X射线源的辐射特征

 利用神光Ⅱ第九路2 ns长脉冲激光束作用厚钛固体靶，研究了产生的keV X射线源的辐射区域和总辐射功率的时间行为。结果表明：在长脉冲激光作用厚固体靶时，硬X射线线辐射功率的时间行为以及辐射体积的时间行为与激光脉冲波形一致；长脉冲时，等离子体2维膨胀效应非常显著，keV X射线线辐射的径向辐射区域在激光焦斑尺寸附近达到饱和，导致X射线线辐射功率出现饱和，且keV X射线线辐射的辐射体积正比于焦斑尺寸的3次方。从理论和实验角度研究了在同样入射激光能量下，辐射功率随激光焦斑尺寸的变化关系，发现keV X射线线辐射的饱和辐射功率正比于焦斑尺寸的5/3次方，理论结果与实验结果一致。并讨论了相同基频输出激光能量下，keV X射线辐射总功率随激光波长的变化关系，发现即使考虑了倍频效率的影响，短波长激光仍然有利于keV X射线的发射。     

光动力治疗中热效应的理论分析与计算

基于Pennes传热方程,从理论上分析了光动力治疗中激光作用所引起的组织温升的变化.结果表明,激光照射在生物组织内形成热源,该热源在一维生物组织空间引起组织的温升一般随时间呈指数形式增大,随激光照射处的距离呈指数减少.激光照射生物组织产生热效应,存在一个最小阈值光剂量,仅当照射的激光剂量大于阈值光剂量时,才能产生热效应.阈值光剂量大小由生物组织的光学参量和热物性参量决定,并随激光照射处的距离呈指数增加     

固体棒状热容激光器的热分析

 计算出固体棒状热容激光器在不同散热边界条件下的温度分布和随时间的演变，与实验测量的结果进行了对比。计算结果表明：激光器工作在热容模式时，不同散热边界条件下激光介质内的温度分布在激光发射期间区别不大，激光发射期间，激光介质内的温度分布主要取决于泵浦光的吸收。但是散热过程中的不同散热边界条件下温度分布演化大不相同，此时的温度分布主要取决于散热边界条件。     

用非简并泵浦探测方法研究C70/甲苯溶液的激发态吸收动力学

通过非简并的时间分辨泵浦探测技术对C70富勒烯/甲苯溶液的非线性光学性质进行了研究。在532 nm波长的皮秒激光脉冲泵浦下,用600 nm的皮秒激光脉冲测量了C70富勒烯的激发态非线性吸收动力学响应。利用五能级模型对实验结果进行了数值模拟,得到了非简并情况下C70富勒烯分子的光物理参数。实验结果表明:C70富勒烯在简并和非简并情况下的激发态寿命没有变化,但非简并情况下的单重态吸收截面要比简并情况下单重态吸收截面小。     

富勒烯在激光科学中的应用

简要评述了富勒烯在激光科学中的研究进展，介绍了富勒烯的非线性光学特性及其潜在应用，展示了富勒烯衍生物和掺富勒烯新型光学材料的研究与应用发展前景。     

基于二阶振动系统响应模型的激光制导信号动态模拟

针对载机平台上的激光目标指示器照射过程的动态响应及其模拟,利用高斯白噪声,通过由滤波器产生的有色噪声的方法模拟了目标指示器指示激光光斑抖动信号的统计平均特征,分别进行了抖动光斑位置随时间变化和在简化地物模型下漫反射信号强度随时间变化的动态模拟以及实际验证测试。经分析表明:在载机平台上,激光动态照射过程中的反射信号强度的变化是与平台相对于目标运动、目标表面的漫射特性和反射特性等因素相关的综合函数;基于二阶振动系统响应模型的方法可应用于激光目标指示器照射过程中的激光制导信号的大气传输和探测的动态模拟。     

真空环境下激光与固体靶冲量耦合的机理分析和数值模拟

在准真空环境下，采用高功率密度的调Q-Nd:YAG激光照射固体铝靶表面，测量了不同入射激光强度下气化靶物质对靶的冲量.通过分析不同情况下激光与固态靶、气化物质的作用机理，采用流体力学理论和三维有限差分的计算方法，对不同激光强度情况下气化物质对靶产生冲量的过程进行了数值模拟，将模拟计算所得结果与实验测量结果进行了比较和分析，进而对实验结果进行了解释.由数值模拟结果与实验结果的一致性可见，本文采用的模型能反映激光作用下固体靶力学响应的物理过程.     

富勒烯在激光科学中的使用

简要评述了富勒烯在激光科学中的研究进展，介绍了富勒烯的非线性光学特性及其潜在应有用，展示了富烯衍生物和掺富勒烯新型光学材料的研究与应用发展前景。     

C60与聚乙烯咔唑（PVK）键合物和共混物在紫外激光作用下的碳笼增强融合

用飞行时间质谱测量３０８ｎｍ激光熔蚀Ｃ６０化学修饰的聚乙烯咔唑（Ｃ６０－ＰＶＫ）与Ｃ６０／聚乙烯咔唑共混物（Ｃ６０／ＰＶＫ）的产物分布，分析了正负离子质谱，发现明显的碳笼融合现象。比较分析了融合过程的增强机理，认为Ｃ６０与ＰＶＫ间的化学键合以及电荷转移络合分别在Ｃ６０－ＰＶＫ键合物和Ｃ６０／ＰＶＫ共混物的富勒烯融合过程中起了重要作用。     

Properties of Nd：YAG Laser with the Nonlinear Absorption of the Intracavity Fullerenes

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Observation of "Stick" and "Handle" intermediates along the fullerene road

The hypothesis that fullerenes grow in a carbon plasma by the addition of C2 units (the "fullerene road") has been widely acclaimed as the most plausible mechanism for formation of larger fullerenes including C60 and C70. Calculations suggest that the association of C2 with fullerenes proceeds through two classes of intermediates, "sticks" and "handles." Here we report the observation of these species using high-resolution ion-mobility measurements for C(n) cations generated by laser vaporization of graphite and laser desorption of C60. Sticks with up to eight-atom chains have also been found.     

DSC study of annealing and phase transformations of C60 and C70 polymerized under pressures in the range 9.5-13 GPa

C₆₀ and C₇₀ fullerenes polymerized under pressures between 9.5 and 13 GPa and temperatures between 670 and 1850 K were investigated by differential scanning calorimetry (DSC) in the range 240-640 K. Endothermal heat effects were observed with a peak maximum just below 540 K, a temperature characteristic for breakdown of (2+2) intermolecular links in dimers, 1D and 2D polymers. Exothermal effects, starting from 380 K, were observed for the first time in polymeric fullerenes. These effects are attributed to relaxation processes and to breakdown of other types of intermolecular bonds such as common four-sided rings and (3+3) interlinks.     

Functionalization of pentagon–pentagon edges of fullerenes by cyclic polysulfides: A DFT study

We have performed a computational study to investigate the cyclosulfurization of the pentagon–pentagon (p–p) junctions in the non-IPR fullerenes C₆₀(D₃) and C₇₀(C_2v), and also Stone-Wales defective C₆₀ fullerene. Our results indicate the exothermic character of cyclosulfurization processes which can be related to the increase of pyramidalization angle (spherical excesses) and p characters of natural hybrid orbitals of C atoms at the p–p junctions. In fact these lead to the structural strain relief and stability of the cyclosulfurization derivatives of the non-IPR fullerenes. Moreover, the cyclosulfurization reaction of p–p bonds on the C₇₀(C_2v) is more energetically favorable than that of C₆₀(D₃), due to the higher curvature of carbon sites and the larger values of the p characters of natural hybrid orbitals in the C₇₀(C_2v). On the other hand, localization of the excess electrons on the C atoms at the p–p junctions leads to the low tendency of the charged non-IPR fullerenes to cyclosulfurization process. The desulfurization pathway of the exohedral derivatives of C₇₀(C_2v) indicates that it is energetically unfavorable for the functionalized fullerenes to break into individual fullerene and sulfur molecules. HOMO–LUMO gaps almost are independent of the number of pentathiepin rings while sensitive to the type of parent fullerene.     

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．     

Calcium as the superior coating metal in functionalization of carbon fullerenes for high-capacity hydrogen storage

We explore theoretically the feasibility of functionalizing carbon nanostructures for hydrogen storage, focusing on the coating of C60 fullerenes with light alkaline-earth metals. Our first-principles density functional theory studies show that both Ca and Sr can bind strongly to the C60 surface, and highly prefer monolayer coating, thereby explaining existing experimental observations. The strong binding is attributed to an intriguing charge transfer mechanism involving the empty d levels of the metal elements. The charge redistribution, in turn, gives rise to electric fields surrounding the coated fullerenes, which can now function as ideal molecular hydrogen attractors. With a hydrogen uptake of >8.4 wt % on Ca32C60, Ca is superior to all the recently suggested metal coating elements.     

Dissociation energy for C(2) loss from fullerene cations in a storage ring

We have stored positively charged fullerene ions C(+)(n) (n even, from 48 to 70 and 76), C(2+)(60) and C(2+)(70) in an electrostatic storage ring and have measured the rate of emission of neutral fragments as a function of time. In the time range of the measurements, 50 micros to a few milliseconds, the rate decreases strongly due to radiative cooling of the molecules. Using the cooling rate predicted from a dielectric model, we have extracted the dissociation energies for C(2) loss from the measurements. As expected, the energies are largest for the "magic" fullerenes, C(50), C(60), and C(70), and the value of 9.8+/-0.1 eV for C(2) loss from C(+)(60) is in reasonable agreement with theory and with other recent experiments.     

Magnetic fullerenes inside single-wall carbon nanotubes

C(59)N magnetic fullerenes were formed inside single-wall carbon nanotubes by vacuum annealing functionalized C(59)N molecules encapsulated inside the tubes. A hindered, anisotropic rotation of C(59)N was deduced from the temperature dependence of the electron spin resonance spectra near room temperature. Shortening of the spin-lattice relaxation time T(1) of C(59)N indicates a reversible charge transfer toward the host nanotubes above approximately 350 K. Bound C(59)N-C(60) heterodimers are formed at lower temperatures when C(60) is coencapsulated with the functionalized C(59)N. In the 10-300 K range, T(1) of the heterodimer shows a relaxation dominated by the conduction electrons on the nanotubes.