锂离子电池正极材料LiCoO2在电池充放电过程中结构变化的谱学研究

本文用熔融盐法合成固体粉末LiCoO2。用扫描电镜(SEM)、X射线衍射(XRD)、循环伏安(CV)和拉曼光谱对其进行了表征。结果显示制得的样品是纳米尺寸的层状结构LiCoO2, 尺寸分布比较均匀。在充放电过程中LiCoO2的结构发生了变化。锂离子脱出和插入LiCoO2的晶格中导致结构缺陷, 使其拉曼峰位发生了有规律的变化: Eg模对应的拉曼峰位随着充放电电压的升高而蓝移; A1g模对应的拉曼峰位随着充放电电压的升高而红移。     

金属烯碳纳米囊在SERS中的应用研究进展

表面增强拉曼光谱(SERS)技术广泛应用于表面/界面科学、光谱学、生化检测、成像示踪等领域。金属烯碳纳米囊是一类由烯碳壳层包裹金属核组成的核壳纳米颗粒，由于金属烯碳纳米囊具有高SERS灵敏度，在复杂和极端的生化环境下优异的稳定性和光学性质，因此在生化检测分析和成像示踪等领域备受关注。超薄烯碳壳层固有的化学惰性可以保护金属内核免受光生热电子、活性氧以及酶等外部因素的破坏，从而使金属烯碳纳米囊展现出超稳定的拉曼信号。此外，烯碳壳层的多个拉曼特征峰位(D、G、2D)可作为拉曼信号和内标信号，进一步提高了拉曼定量检测的准确度。值得注意的是2D峰作为拉曼静默区域内的信号峰有利于减少体内生物分子的干扰。本文首先介绍了金属烯碳纳米囊的制备原理和基本性质，概述了基于金属烯碳纳米囊的SERS检测和成像中的应用进展，最后展望了金属烯碳纳米囊在疾病诊疗的前景和潜力。     

多晶AIN光学性质研究

运用X射线衍射仪和拉曼光谱仪,测量了物理气相输运(PVT)方法生长的AlN多晶材料的X射线衍射和常温拉曼光谱.常温拉曼光谱研究了晶界、晶面方向与拉曼频率的关系,观察到了E和E峰位基本不随测量位置变化,与晶界无关,但是E1(TO),A1(LO)和Quasi－LO声子峰位却明显与晶界有关,为研究晶粒间、晶粒内应力提供了有效手段.     

多晶AlN光学性质研究

运用X射线衍射仪和拉曼光谱仪,测量了物理气相输运(PVT)方法生长的AlN多晶材料的X射线衍射和常温拉曼光谱。常温拉曼光谱研究了晶界、晶面方向与拉曼频率的关系,观察到了E和E峰位基本不随测量位置变化,与晶界无关,但是E1(TO),A1(LO)和Quasi-LO声子峰位却明显与晶界有关,为研究晶粒间、晶粒内应力提供了有效手段。     

单次冲击压缩下液态硝基甲烷的拉曼光谱

在单次冲击压缩实验中,运用高敏度瞬态拉曼光谱技术观测了液态硝基甲烷分子的拉曼光谱. 将该拉曼测量技术与二级轻气炮的实验平台结合起来,获得硝基甲烷分子振动模式的高压动态行为. 硝基甲烷被12 GPa压力冲击时的拉曼光谱可清晰探测,其拉曼振动峰仅仅发生了峰位蓝移和峰宽展宽的变化,未显示出化学变化产生的迹象.     

微型化拉曼光谱系统的搭建及其在矿物分析中的应用

为使学生更好地了解拉曼光谱技术的工作原理、仪器结构和矿物拉曼光谱特征,设计了微型拉曼光谱仪.微型拉曼光谱仪由Bwtek拉曼光谱仪、3个凸透镜和滤光片等组成.应用该仪器对矿物(As4S4)的不同峰位光谱进行测量,指认了振动峰的归属.     

胶体二硫化钼的高压拉曼散射研究

 测量了平均直径为4 μm的胶体二硫化钼粉剂的高压拉曼光谱。实验结果表明，高压下胶体二硫化钼拉曼峰位随压力增大向高波数方向移动，而峰强随压力增大而减小且峰宽展宽。通过对拉曼峰位移随压力变化的曲线分析，得到了胶体二硫化钼的两个振动模式E¹_2g和A_1g的模式格林爱森常数值。     

光谱法研究阿莫西林及其与DNA的相互作用

报道了阿莫西林对照品与阿莫西林胶囊的常规拉曼光谱(NRS)和在银胶基底上溶液的表面增强拉曼光谱(SERS),归属了各个振动峰位和增强峰位;研究了阿莫西林对照品溶液与DNA相互作用的荧光光谱和表面增强拉曼光谱.结果表明:阿莫西林胶囊与阿莫西林对照品的NRS及SERS图谱基本一致,说明胶囊中的辅料对阿莫西林的检测几乎没有影...     

KBrO3在高压下拉曼光谱和结构的研究

利用原位高压拉曼散射和X射线衍射技术,研究了KBrO3在高压下晶格振动和晶体结构演化行为.最高压力达30.9 GPa.通过拉曼光谱发现,在高压下拉曼峰位除了单调移动,没有其它变化,表明KBrO3在研究的压力范围没有发生相变.原位高压X射线衍射实验数据显示,其在高压下依然保持常压的六方结构.通过进一步分析,分别得到了体弹模量B0=25.9(2) GPa(B′0=5.68(0.38))和部分拉曼峰的Grüneisen参数.     

纳米稀土镧8-羟基喹啉间羟基苯甲酸/TiO2的红外及拉曼光谱研究

采用沉淀法/溶胶-凝胶复合方法制备了纳米稀土镧8-羟基喹啉间羟基苯甲酸/TiO2复合粒子。并应用红外和拉曼光谱对其进行了表征。红外光谱证明样品为稀土镧8-羟基喹啉间羟基苯甲酸/TiO2复合粒子。拉曼光谱证明其拉曼峰与文献报道的TiO2拉曼峰相比,部分峰位出现了蓝移,部分峰位出现了红移现象,从纳米粒子的表面结构及配合物层的压力出发对此现象进行了定性解释和讨论。     

Raman Scattering Modification in Monolayer ReS_2 Controlled by Strain Engineering

Regulation of optical properties and electronic structure of two-dimensional layered ReS_2 materials has attracted much attention due to their potential in electronic devices.However,the identification of structure transformation of monolayer ReS_2 induced by strain is greatly lacking.In this work,the Raman spectra of monolayer ReS_2 with external strain are determined theoretically based on the density function theory.Due to the lower structural symmetry,deformation induced by external strain can only regulate the Raman mode intensity but cannot lead to Raman mode shifts.Our calculations suggest that structural deformation induced by external strain can be identified by Raman scattering.     

Structural deformation of nitro group of nitromethane molecule in liquid phase in an intense femtosecond laser field

The structural deformation of NO_2 group induced by an intense femtosecond laser field of liquid nitromethane(NM)molecule is detected by time-and frequency-resolved coherent anti-Stokes Raman spectroscopy(CARS) technique with the intense pump laser. Here, we present the mechanism of molecular alignment and deformation. The CARS spectra and its FFT spectra of liquid NM show that the NO_2 torsional mode couples with the CN symmetric stretching mode and that the NO_2 group undergoes ultrafast structural deformation with a relaxation time of 195 fs. The frequency of the NO_2 torsional mode in liquid NM(50.8±0.3 cm~(-1)) at room temperature is found. Our results prove the structural deformation of two groups in liquid NM molecule occur simultaneously in the intense laser field.     

Tracking molecular structure deformation of nitrobenzene and its torsion-vibration coupling by intense pumping CARS

The structural deformation induced by intense laser field of liquid nitrobenzene(NB) molecule,a typical molecule with restricting internal rotation,is tracked by time- and frequency-resolved coherent anti-Stokes.Raman spectroscopy(CARS) technique with an intense pump laser.The CARS spectra of liquid NB show that the NO_2 torsional mode couples with the NO_2 symmetric stretching mode,and the NB molecule undergoes ultrafast structural deformation with a relaxation time of 265 fs.The frequency of NO_2 torsional mode in liquid NB(42 cm~(-1)) at room temperature is found from the sum and difference combination bands involving the NO_2 symmetric stretching mode and torsional mode in time- and frequency-resolved CARS spectra.     

偏振拉曼散射研究ZnO单晶纳米压痕区内的晶格畸变分布

通过结合纳米压痕和偏振拉曼散射技术对压应力影响下ZnO单晶晶格出现的变化进行了研究。位错的滑移是导致ZnO单晶中出现多处塑性变形的原因而非相变。之后采用偏振拉曼Mapping成像技术以E2(high)模为对象, 监视其在整个压痕区内的强度变化分布。在压痕区中心累积的应力通过位错的滑移而释放, 同时导致压痕区中心处的晶格畸变程度最为严重。伴随着晶格失配的加剧, 拉曼选择定则放宽, 在Z(XX)配置下较弱的LO得到增强, 原本非拉曼活性的B1(high)模出现。此外, 在Z(XY)偏振下压痕区左侧的拉曼光谱中观察到位于130 cm-1处的拉曼异常振动模。此峰的出现可能与压痕区左侧由刃位错所形成的应力场吸引间隙离子导致的晶格畸变有关。     

Piezoelectric measurements on BiFeO3 single crystal by Raman scattering

The piezoelectric response of BiFeO₃ at low temperature has been investigated by Raman scattering measurements. The application of an external electric field at T=10 K induces frequency shifts of the lowest frequency mode related to the Bi-O bonds and corresponding to the soft mode of the ferroelectric transition. The piezoelectric effect is responsible for the softening of this mode via the tensile stress leading to the expansion of the crystal. The phonon deformation potential associated with the soft mode has been estimated around −200 cm⁻¹/strain units using the linear piezoelectric coefficient d₃₃=16 pm/V. It found in the range of the ones obtained for typical piezoelectrics.     

重碳掺杂p型GaAs中纵光学声子与等离振子耦合模的Raman散射特性

对用MOMBE法生长的重C掺杂p型GaAs进行了Raman散射研究,结合理论分析,较好地解释了p型GaAs中纵光学(LO)声子与空穴等离振子耦合(LOPC)模的Raman散射特性,证明它具有与n型状态不同的特点,根据实验结果讨论了重掺杂对Raman散射谱的影响,发现LOPC模的散射峰特征(位置和宽度)与重掺杂效应程度具有很大关系。     

煤岩变质变形作用的谱学研究

为了探讨不同变质程度煤在不同变形机制和变形强度影响下的结构成分演化,该文对淮北煤田经历不同变质变形作用的构造煤样品进行了傅里叶变换红外光谱(FTIR)和激光Raman光谱的测试和分析.FTIR显示,变质和变形作用对大分子结构的降解和缩聚过程有着不同程度的影响;激光Raman光谱显示,变形作用导致大分子结构中次生结构缺陷的产生,变质作用对次生结构缺陷和芳族总量也有一定的影响.综合研究表明:韧性变形将应力作用转换成应变能,对降解和缩聚产生明显的影响,而脆性变形将应力作用转换成热能,促进降解的进行,对缩聚作用的影响较小.低变质阶段煤岩以降解作用为主,高变质阶段则以缩聚作用为主.在变质变形作用的影响下,脱落的小分子优先补充嵌入大分子结构的次生结构缺陷中或残留的芳环缩聚形成芳族结构,从而提高煤岩结构的稳定性,且韧性变形比脆性变形更容易导致次生结构缺陷的形成.     

六氯铅铵晶体相变的拉曼散射研究

在５Ｋ～３００Ｋ温度范围内对六氯铅铵晶体进行了拉曼散射测量，该晶体在Ｔｃ＝７８Ｋ发生从立方结构（Ｏ＾５４）至三方结构（Ｃ＾２３ｉ）的二级相变，ＰｂＣｌ＾２－６八面体Ａ１ｇ模和ＮＨ＾＋４四面体Ａ１模的拉曼频移在Ｔｃ时出现极大值，八面体Ｔ２ｇ模，四面体Ｔ２模和外振动Ｔ２ｇ模在Ｔｃ以下发生连续分裂，另外在Ｔｃ以下观测到对应于高温相ＰｂＣｌ＾２－６八面体Ｔ１ｇ模的软模。     

Analysis of near weld stress field based on strain measurement and physical mesomechanics

Stresses induced by welding are analyzed from the viewpoint of material deformation behavior. Strain gages are used to measure the residual stresses, and electronic speckle-pattern interferometry is used to analyze the response of the welded work to external force. A tensile load is applied to a butt-welded, thin-plate steel specimen, and the resultant strain field is analyzed with the electronic speckle-pattern interferometry. Comparison is made with the case of a nonwelded specimen of the same material and dimension. The analysis indicates that the residual stress due to welding makes the normal strain due to the external tensile load asymmetric. The asymmetry enhances shear and rotational modes of deformation, generating stress concentration at a point away from the weld where the residual stress is substantially negligible. The observed features are discussed based on physical mesomechanics. Analysis reveals plastic deformation like behavior in the response of the welded specimen to the external force.     

Ni50.5Mn24.5G25单晶的预马氏体相变特性

通过交流磁化率、电阻、有无磁场下的预相变应变、磁致伸缩和磁化强度测量，系统研究了近正配分比Ni505Mn245Ga25单晶的预马氏体相变特性.在自由样品中观察到预马氏体相变应变.在预相变点，沿[010]方向施加大小约为80kA/m的磁场，在晶体母相的[001]方向上获得了高达505ppm的磁致伸缩，该值是相同条件下晶体母相磁致伸缩量的5倍多.同时，报道了不同方向磁场对预相变应变干预的结果.利用软模凝结的概念和依据单晶生长的特点，分析了预相变应变产生的机理.而磁场干预预相变应变的机理是磁场增大的磁弹耦合导致的晶格形变与材料内禀形变的竞争.利用磁性测量结果证实和解释了预相变过程中[001]和[010]轴方向间进一步增大的各向异性.进而对磁场沿[001]和[010]两个晶体学方向所导致的应变特性的差别，包括最大磁致伸缩、饱和预相变应变、饱和场等，进行了分析和讨论. 关键词： 预马氏体相变 应变 磁致伸缩 磁弹耦合