裂解气相色谱-质谱法研究聚醚酰亚胺的热裂解行为

采用裂解气相色谱-质谱技术研究了聚醚酰亚胺(PEI)在550℃、650℃和750℃裂解温度下的热分解行为.随着裂解温度上升,裂解产物明显增加.在750℃时聚合物分子链断裂完全,共鉴别到25种碎片组分.PEI热分解的碎片中叔丁基苯酚、叔丁基甲基苯酚、苯酚、苯胺、氰苯、2-苯基-1H-异吲哚-1,3(2H)-二酮等5种裂解产物最重要,因此可以依据这几种化合物定性鉴别聚醚酰亚胺.依据热分解产物的数量以及结构推断降解机理为:裂解首先从醚键开始,其次是酰胺基团中的C-N键,然后再经过一系列消除反应、成环反应、重排反应等形成多种裂解碎片.     

CdTe(110)表面原子与电子结构的第一性原理研究

采用基于密度泛函理论的第一性原理计算了CdTe(110)表面的原子和电子性质.结果表明,CdTe(110)理想表面在禁带中出现两个明显的表面态,弛豫后表层Cd原子和Te原子p态电子发生转移,Cd原子趋向于sp2平面杂化构型,Te原子趋向p3杂化的锥形构型.经过表面弛豫大大降低了表面能,增大了表面功函数,表面占据态和表面空态分别被推进价带顶之下和导带底之上,导致弛豫表面没有明显的表面态.     

A Criterion to Identify Maximally Entangled Four-QubitState

Paolo Facchi, et al. [Phys. Rev. A77 (2008) 060304(R)] presented a maximally multipartite entangled state (MMES). Here, we give a criterion for the identification of maximally entangled four-qubit states. Using this criterion, we not only identify some existing maximally entangled four-qubit states in the literature, but also find several new maximally entangled four-qubit states as well.     

Continuous-Variable Entanglement Generation from a Four-State Atom under Raman Excitation

We investigate the generation and the evolution of continuous-variable (CV) entanglement from a laser-driven four-state atom inside a doubly resonant cavity under Raman excitation. Two transitions in the four-state atom independently interact with the two cavity modes, while two other transitions are driven by coupling laser fields. By including the atomic relaxation as well as cavity losses, we show that the CV entanglement with large mean number of
photons can be generated in our scheme. We also show that the intensity of the coupling laser fields can influence effectively the entanglement period of the cavity field. Different from the conventional resonant excitation scheme where zero one-photon detuning are required, it is found that the intensity and period of entanglement between the two cavity modes as well as the total mean photon number of the cavity field can be adjusted by properly
modulating the frequency detuning.     

退火处理对CdZnTe晶体光电性能的影响

研究了生长态CdZnTe晶体在经历了不同温度和时间的Cd/Zn和Te气氛退火后,其光电性能的变化规律.研究表明,在Cd/Zn气氛下退火180 h后,CdZnTe晶体中直径在5μm以上的Te夹杂的密度减小了1个数量级,晶体的体电阻率由1010 Ω·cm减小至～107 Ω· cm.同时发现,Cd/Zn源区的温度决定了退火后晶体在500～4000cm-1范围内红外透过率曲线的平直状态,这可能与晶体中的Cd间隙缺陷浓度相关,而与晶体中的载流子浓度和夹杂/沉淀相状态无关.在Te气氛下退火时,发现晶体的红外透过率的平直状态与晶体电阻率的对数lg(ρ)呈近似线性关系,同样可归因于退火过程中Cd间隙缺陷的浓度变化.     

基于近红外光谱实现心输出量无创检测的色素谱分析方法

针对当前临床上心输出量参数检测技术存在的有创伤、操作复杂和患者易受感染而死亡的问题,研究了一种基于近红外光谱原理,动态测量和分析作为指示剂的吲哚氰绿色素在患者动脉血液中的浓度变化情况,从而根据其特征参数实现心输出量连续测量的无创检测方法。将吲哚氰绿色素经肘静脉注入患者体内后,光电脉搏色素谱测量装置作为下位机,连续、同步采集和记录其指端处的805和940 nm两个特征波长点的脉搏波信号,并将数据上传至上位计算机,由后者绘制色素稀释和排泄的浓度衰减曲线,以及计算平均循环时间等关键参数,最后推导出心输出量的数值。将该方法与作为“金标准”的热稀释法的测量结果相比较,其最大相对误差为9.76%,而平均相对误差为4.39%。该试验结果表明,所提出的方法为临床上的心输出量检测,提供了一种操作简便、无创和连续测量的解决方案。     

Theoretical Study on the Low-Lying Electronic States of He2, He2+, and He2++

The equilibrium geometries, potential energy curves, spectroscopic dissociation energies of the ground and low-lying electronic states of He₂, He₂⁺ and He₂⁺⁺ are calculated using symmetry adapted cluster/symmetry adapted cluster-configuration interaction (SAC/SAC-CI) method with the basis sets CC-PV5Z. The corresponding dissociation limits for all states are derived based on atomic and molecular reaction statics. The analytical potential energy functions of these states are fitted with Murrell--Sorbie potential energy function from our calculation results. The spectroscopic constants B_e, α _e, ω _e, and ω _e χ _e of these states are calculated through the relationship between spectroscopic data and analytical energy function, which are in well agreement with the experimental data. In addition, the origin of the energy barrier in the ground state X¹Σ_g⁺ of He₂⁺⁺ energy curve are explained using the avoided crossing rules of valence bond model.     

基于共振型高灵敏度光声光谱技术探测痕量乙炔气体浓度

乙炔气体作为判断变压器运行状态的一种故障气体,其浓度的高低反映了变压器的运行状况,因此对其浓度的探测在变压器的维护中具有重要意义。为了准确探测变压器运行过程中产生的乙炔气体浓度,为变压器的维护提供技术参数,针对基于DFB激光器的共振型光声光谱技术痕量乙炔气体检测技术开展研究,对传统的光声光谱探测系统进行改进。根据光声光谱技术的理论可知,光声信号的强度与入射激光的功率成正比,所以在光声池的出射窗口采用一个平面反射镜将红外光再次反射到光声池中以增加入射光功率,增强光声信号强度,进一步提高了光声系统的探测灵敏度。通过一定浓度的乙炔气体在不同调制频率和不同调制深度下光声信号强度的变化,确定光声探测系统的最佳调制频率和最佳调制深度为767 Hz和0.3 mV。利用不同浓度乙炔气体对系统进行标定,然后采用最小二乘法对光声信号与气体浓度进行拟合,二者具有很好的线性度。通过Allan方差计算可知,系统在平均时间达到200 s时,能够达到最低探测极限浓度。实验表明,在一个大气压下,积分时间为10 ms时,改进后的共振型光声光谱探测系统对乙炔气体的最低探测极限浓度达到了0.3 μL·L-1。还将小波去噪技术引入到低浓度下乙炔气体的光声信号处理中,有效消除了低浓度气体光声信号中的噪声,提高了信噪比。设计的共振型光声光谱探测系统操作简单,最低探测浓度符合国标中对变压器维护过程中对乙炔气体的探测需求,在变压器维护领域具有广阔的应用前景。     

A Nonenzymatic Glucose Sensor Based on Layer-by-layer Self-assembly of NiAl-layered Double Hydroxide and Polyelectrolyte

采用共沉淀法合成了镍铝水滑石(NiAl - LDH),将NiAl - LDH与聚苯乙烯磺酸钠(PSS)通过层层自组装法构筑了PSS/NiAl - LDH多层膜电极,并将其用于葡萄糖分析.X射线衍射光谱、红外光谱和SEM结果表明:共沉淀法合成的NiAl -LDH具有典型的水滑石特征峰及形貌.紫外-可见光谱表明:NiAl - LDH可与PSS均匀有效地组装构筑多层膜.电化学研究表明:NiAl - LDH修饰电极能有效地催化氧化葡萄糖.该传感器对葡萄糖在5.0×10-7～6.6×10-4 mol/L范围内呈良好的线性响应,灵敏度为8.9×10-4 A·L·mol -1,检出限(S/N=3)为2.8×10-7 mol/L.     

Theoretical studies on fullerene C4o′s derivatives C4o X2 (X =H, F, Cl, Br)

应用密度泛函理论在B3LYP/6 31G*水平上对C40X2 (X=H,F,Cl,Br)进行研究.研究结果表明,C40X2 (X=H,F,C1,Br)在热力学上是稳定的,卤化衍生物的稳定性随卤素原子序数的增大而降低,最有利的衍生化方式是1-4加成,1-2与1-4加成的卤化和氢化衍生物在所研究的分子中较为稳定.这些研究有助于理解富勒烯衍生物的衍生化模式.