13.56 MHz/2 MHz柱状感性耦合等离子体参数的对比研究

通过Langmuir双探针和发射光谱诊断方法,对比研究了驱动频率为13.56 MHz和2 MHz柱状感性耦合等离子体中电子密度和电子温度的径向分布规律.结果表明:在高频和低频放电中,输入功率的增加对等离子体参数产生了不同的影响,高频放电中主要提升了电子密度,低频放电中则主要提升了电子温度.固定气压为10 Pa,分别由高频和低频驱动时,电子密度的径向分布均为"凸型".而电子温度的分布差异比较明显,高频驱动时,电子温度在腔室中心较为平坦,在边缘略有上升;低频驱动时,电子温度随径向距离的增加而逐渐下降.为了进一步分析造成这种差异的原因,在相同放电条件下采集了氩等离子体的发射光谱图,利用分支比法计算了亚稳态粒子的数密度,发现电子温度的径向分布始终与亚稳态粒子的径向分布相反.继续升高气压到100 Pa,发现不论高频还是低频放电,电子密度的径向分布均从"凸型"转变为"马鞍形",较低气压时电子密度的均匀性有了一定的提升,但低频的均匀性更好.     

基于冠层尺度的枣树色素含量的高光谱估算模型

植物冠层色素含量与氮素含量具有高度的相关性,是农业遥感中的关键研究因素。本研究的主要目的是：(1)对比偏最小二乘回归和支持向量机两种建模方法对枣树冠层色素的预测精度;(2)构建基于高光谱数据的枣树冠层色素含量定量反演模型,为枣树冠层色素含量的快速、无损、廉价、环保的测定提供一定的理论依据和技术支持。相关性分析结果表明,枣树冠层色素与高光谱数据之间具有较好的相关性,但叶绿素、叶绿素a要优于叶绿素b和类胡萝卜素。独立样本对模型的预测性能检验结果表明,偏最小二乘回归和支持向量机均能有效的估算枣树色素含量,但不同色素的偏最小二乘回归模型和支持向量机模型的预测精度存在一定的差异,叶绿素和类胡萝卜素的支持向量机模型的预测精度要高于偏最小二乘回归模型,而叶绿素a和叶绿素b则相反。比较不同色素的最佳反演模型的预测精度表明,叶绿素、叶绿素a和类胡萝卜素的预测精度要优于叶绿素b,前三者的决定系数大于0.8,残余预测误差高于2.0,平均相对误差低于13%,而叶绿素b的对应值分别为0.60%,20.79%和1.79%。     

Gap states at organic-metal interfaces: A combined spectroscopic and theoretical study

A systematic understanding and controlling of gap states formed at the organic-metal interfaces is a key factor for fabricating functional organic-metal systems, as in case of heterojunctions in semiconductor devices. We report here the characterization of gap states near the Fermi level of metal substrate by metastable atom electron spectroscopy and first-principles density functional calculations. The gap states in organic-metal systems are classified into two types, i.e., chemisorption-induced gap states (CIGSs) and complex-based gap states (CBGSs). CIGSs can be further classified whether the metal wave function tails a short distance into the chemisorbed species with the exponential decay (damping type) or is exposed sufficiently to the chemisorbed species by mixing with the organic orbitals (propagating type). CIGSs observed in alkanethiolate and C₆₀ on Pt(1 1 1) are their typical examples, respectively. As a consequence, alkanethiolate serves as a poor mediator of metal wave function, whereas C₆₀ acts as a good mediator, which is responsible for tunneling mechanism and eventually electric conductivity in the relevant metal-organic-metal junctions. CBGSs are identified in bathocuproine films deposited on K-covered Au, where the K atoms migrate into the film to form an organic-metal complex. The CBGSs are distributed over the multilayer film, in contrast to the case of CIGS. With increasing film thickness, the CBGSs exhibit incommensurate energy shifts with the valence band top of the film, indicating that the Schottky-Mott model breaks down as evaluating charge transport in organic-metal systems.     

紫外光谱法分析煤直接液化油族组成

煤液化油组成的测定方法以色谱法为主,但由于样品沸程长,组分性质不均一,色谱法无法实现简便快速地对液化油族组分进行定性/定量。为建立一种快速准确定量煤液化油中的酚类化合物、芳烃、脂肪烃的分析方法,本文选取具有代表性组成的煤液化油180～200 ℃馏分为研究对象,筛选了环己烷、乙醇、氢氧化钠-乙醇(50 Wt%,简称碱醇溶剂)三种分离溶剂。通过对煤液化油样品在200～400 nm波长间的特征吸收峰分析,发现碱醇溶剂可使芳烃化合物对酚类化合物的干扰减少到最小,可以有效避免吸收峰重叠问题。在此基础上,进一步对比分析了苯酚,间甲酚,邻甲酚,对甲酚等标准化合物与液化油酚类混合物在碱醇溶液中紫外吸收的标准曲线,以定量样品组成。选择间甲酚为标准化合物,根据其在290 nm处的标准曲线,得到煤液化油中酚类化合物的总量为32.14%,测定结果与宏量样品分离、称重、物料平衡后结果基本一致。在得到酚类化合物含量之后,以四氢萘为标准物,获得液化油中芳烃的总量为44.91%,脂肪烃的含量为22.95%。为确定方法的准确性,油样分别加入不同量的间甲酚和四氢萘标准物,酚的加标回收率为104.3～110.75%,芳香烃的加标回收率在84.3～91.75%。综上表明：利用紫外光谱法,以碱醇溶剂排除芳烃对酚吸收的影响,能够快速测定煤液化油中酚类和芳香烃的含量,脂肪烃的含量可差减得到。     

Deep level transient spectroscopy investigation of deep levels in CdS/CdTe thin film solar cells with Te:Cu back contact

Deep levels in Cds/CdTe thin film solar cells have a potent influence on the electrical property of these devices. As an essential layer in the solar cell device structure, back contact is believed to induce some deep defects in the CdTe thin film. With the help of deep level transient spectroscopy (DLTS), we study the deep levels in CdS/CdTe thin film solar cells with Te:Cu back contact. One hole trap and one electron trap are observed. The hole trap H1, localized at E_v+0.128~eV, originates from the vacancy of Cd (V_Cd. The electron trap E1, found at E_c-0.178~eV, is considered to be correlated with the interstitial Cu_i⁼ in CdTe.     

Application of spectroscopic imaging in epilepsy

Functional and anatomical neuroimaging has had a dramatic effect on the evaluation of patients for seizure surgery. The demonstration by PET that the epileptogenic focus has interictal metabolic abnormalities has allowed a greater number of patients to come to seizure surgery, with fewer of these patients requiring intracranial electrode evaluations. Metabolic changes have also been demonstrated utilizing single voxel and whole brain ¹H and ³¹P MRS imaging techniques with the interictal focus characterized by increased Pi, pH, and decreased PME and NAA. These findings can be used to accurately lateralize temporal lobe as well as frontal lobe epilepsy. Furthermore, there is evidence that these findings can be used to localize the seizure focus with the changes specific for the epileptogenic region; although, more diffuse changes both ipsilaterally and contralaterally have been seen. In patients with anterior hippocampal seizure foci the pH is significantly alkaline only in the ipsilateral hippocampus, whereas the increased Pi and decreased PME can be seen throughout the ipsilateral temporal lobe. When compared to controls the contralateral hemisphere is acidotic. Decreased NAA concentrations as well as NAA/Cr ratios have been demonstrated in the epileptogenic region in temporal and frontal lobe epilepsy. The decreased NAA has been correlated with the severity of cell loss, and may be a more sensitive measure than qualitative or quantitative measures of the hippocampal atrophy; however, the NAA decrease is more widespread than just the epileptogenic focus but may be maximal at the site of seizure initiation. In preliminary work, NAA maps of deviation from normality have suggested the maximal change to coincide with the epileptogenic region. These results suggest that in focal epilepsy there is abnormal metabolic activity throughout the brain detectable by MRS, with patterns of metabolic asymmetry that are useful for seizure localization.     

基于可见-近红外光谱与稀疏表示的注水肉识别

为了能快速准确的识别原料肉与注水肉, 提出了一种基于可见-近红外光谱和稀疏表示的无损的识别方法。通过向猪肉样本(包括猪皮、脂肪层和肌肉层)注水的方法建立注水肉模型, 采集未注水的原料肉和6类不同注水量的注水肉的可见和近红外漫反射光谱数据。为了消除光谱数据中的冗余信息并提高分类效果, 对光谱数据进行光调制和归一化等预处理并截取有效波段, 根据是否注水以及注水量的多少对样本进行分类。用所有训练样本构成原子库(字典), 通过ｌ1最小化将测试样本表示为这些原子的最稀疏的线性组合。计算测试样本与各类的投影误差, 将最小投影误差对应的类作为测试样本的所属类别, 并应用留一法进行交叉检验, 比较了稀疏表示法与支持向量机的识别结果。实验结果表明, 利用稀疏表示法对于原料肉与注水肉的识别准确率可达到90%以上, 获得了较好的分类效果, 优于支持向量机的识别结果。而对于不同注水量的注水肉识别准确率与注水量之差正相关。稀疏方法不需要进行传统模式识别模型的前期学习与特征提取, 适用于高维、小样本量数据的处理, 计算成本低, 将其用于注水肉的光谱数据识别具有一定的创新性, 并取得了较满意的结果, 为原料肉和注水肉的无损识别提供了一种有效方法。     

乙基苯胺的转动光谱及分子结构

本文使用傅里叶变换微波谱仪研究了乙基苯胺类物质(邻乙基苯胺,间乙基苯胺,对乙基苯胺)的分子结构. 由于此类分子含氮原子(I¹⁴N=1),因此跃迁谱线中都呈现出核四级裂分. 通过比较实验测定得到的分子结构,可总结苯胺环上不同位置乙基的取代对氨基及分子整体结构的影响.     

Structural studies on banana oil,isoamyl acetate,by means of microwave spectroscopy and quantum chemical calculations

The rotational spectrum of isoamyl acetate, H₃C–COO–(CH₂)₂–CH(CH₃)₂, has been recorded and assigned using a molecular beam Fourier transform microwave (MB-FTMW) spectrometer in the frequency range of 3–26.5?GHz. One conformer has been observed. By comparing the spectroscopic data with the quantum chemical data, it was found that the conformer observed does not have C_s symmetry. The rotational and centrifugal distortion constants were determined. The barrier to internal rotation of the acetate methyl group was found to be 93.98?cm^?1. Due to the high number of the conformers, a systematic nomenclature will be presented.     

Coadsorption of water and CO molecules on Ru(0 0 1) at high CO coverages: comparisons with a Ru(0 0 1) electrode surface

The coadsorption of carbon monoxide (CO) and water molecules on a Ru(0 0 1) surface has been studied by infrared spectroscopy, LEED and STM. At high CO coverage phases, a 2×2-(2CO+D₂O) structure was observed on both UHV and electrode surfaces. Electrode potential dependent structures from CO and water adlayers on an electrode surface were reproduced on a UHV surface by controlling molecular orientations of the first layer and second over-layer water molecules. At lower CO coverages, a CO band center showed coverage dependent shift down to 1444 cm⁻¹ due to an electron transfer from a lone pair of a water molecule to CO 2π^*.