神经网络法研究多溴代二苯胺热力学性质

通过时间分辨光谱技术详细地研究了ZnCuInS/ZnSe/ZnS量子点的激子弛豫动力学. 基于速率分布模型,波长依赖的发射动力学表明本征激子、界面缺陷态中的激子、给-受体对态中的激子都会参与量子点的发光过程,整个发光过程主要依赖于给-受体对态发射. 瞬态吸收数据表明激发后本征激子和界面缺陷物种可能会同时出现,在高激发光强下,光强依赖的俄歇复合过程也存在于量子点中     

A thioester substrate binds to the enzyme Arthrobacter thioesterase in two ionization states: evidence from Raman difference spectroscopy

4‐Hydroxybenzoyl‐CoA (4‐HB‐CoA) thioesterase from Arthrobacter is the final enzyme catalyzing the hydrolysis of 4‐HB‐CoA to produce coenzyme A and 4‐hydroxybenzoic acid in the bacterial 4‐chlorobenzoate dehalogenation pathway. Using a mutation E73A that blocks catalysis, stable complexes of the enzyme and its substrate can be analyzed by Raman difference spectroscopy. Here we have used Raman difference spectroscopy, in the non‐resonance regime, to characterize 4‐HB‐CoA bound in the active site of the E73A thioesterase. In addition, we have characterized complexes of the wild‐type enzyme complexed with the unreactive substrate analog 4‐hydroxyphenacyl‐CoA (4‐HP‐CoA). Both sets of complexes show evidence for two forms of the ligand in the active site: one population has the 4‐hydroxy group protonated, 4‐OH; while the second has the group as the hydroxide, 4‐O⁻. For bound 4‐HP‐CoA, X‐ray data show that glutamate 78 is close to the 4‐OH in the complex and it is likely that this is the proton acceptor for the 4‐OH proton. Although the pK_a of the 4‐OH group on the free substrate in aqueous solution is 8.6, the relative populations of ionized and neutral 4‐HB‐CoA bound to E73A remain invariant between pH 7.3 and 9.8. The invariance with pH suggests that the 4‐OH and the ‐COO⁻ of E78 constitute a tightly coupled pair where their separate pK_a ‘s lose their individual qualities. Narrow band profiles are seen in the CO double bond and C‐S regions, suggesting that the hydrolyzable thioester group is rigidly bound in the active site in a syn gauche conformation. Copyright © 2011 John Wiley & Sons, Ltd.     

Size and Shape Effect of Gold Nanoparticles in “Far‐Field” Surface Plasmon Resonance

The “far‐field” surface plasmon resonance (FSPR) of metal nanoparticles, which have built a facile way to emission enhancement of red, green, blue, and white with nice reproducibility, has big potential application in solution‐processed organic light‐emitting diodes (OLEDs). According to the theory of the “far‐field” effect, the reflectivity of the metal surface and the phase shift at the reflection play an important role in enhancing ratio, which strongly relate to the size and shape of nanoparticles. In this work, gold nanospheres with different sizes and nanorods are synthesized in order to determine the size and shape effect of FSPR. The results demonstrate that the one with higher reflectivity in a certain range induces a better emission enhancement in the luminous efficiency and the maximum brightness. The nanoparticles with bigger sizes and shape of rods have higher reflectivity, which is consistent with the simulation based on FSPR effect. The phase shifts of different nanoparticles are optimized by the distance between gold nanoparticles and emitters. The metal NPs with a high reflectivity and the applicable phase shift will have big potential for the emission enhancement in OLEDs.     

A percolation study of RTS noise in deep sub-micron MOSFET by Monte Carlo simulation

Based on percolation theory and random telegraph signal (RTS) noise generation mechanism, a numerical model for RTS in deep submicron metal-oxide-semiconductor field-effect transistor (MOSFET) was presented, with which the dependence of Tc/Te (where Tc=capture time, Te=emission period ) on energy levels and trap depth with respect to the interface of traps can be simulated. Compared with experimental results, the simulated ones showed a good qualitative agreement.     

The magnetization reversal behaviour for SmCo6.8Zr0.2 and SmCo6.8Zr0.2/α-（Fe,Co） nanocrystalline magnets at low temperature

This paper reports that the SmCo 6.8 Zr 0.2 nanocrystalline permanent magnets and SmCo 6.8 Zr 0.2 /α-(Fe,Co) nanocomposite permanent magnets are successfully produced by mechanical alloying and subsequently annealing at 700 C for 10 minutes.The x-ray diffraction results show that the phase structure of SmCo 6.8 Zr 0.2 nanocrystalline permanent magnets is composed of SmCo 7 phase and SmCo 6.8 Zr 0.2 /α-(Fe,Co) nanocomposite permanent magnets is composed of SmCo 7 and α-(Fe,Co) phases.The mechanism of magnetization reversal is mainly controlled by inhomogeneous domain wall pinning in SmCo 6.8 Zr 0.2 and SmCo 6.8 Zr 0.2 /α-(Fe,Co) magnets.The inter-grain exchange interaction at low temperature is investigated,which shows that the inter-grain exchange interaction of SmCo 6.8 Zr 0.2 /α-(Fe,Co) magnets increases greatly by the decrease of the measured temperature.According to Δm irr-H/H cj,Δm rev-H/H cj and χ irr-H/H cj curves at room temperature and 100 K,the changes of irreversible and reversible magnetization behaviours of SmCo 6.8 Zr 0.2 and SmCo 6.8 Zr 0.2 /α-(Fe,Co) magnets with the decreasing temperature are analysed in detail.The magnetic viscosity and the activation volume of SmCo 6.8 Zr 0.2 and SmCo 6.8 Zr 0.2 /α-(Fe,Co) magnets at different temperatures are also studied.     

一种制备单原子碳链的方案

考虑到迄今为止实验上尚不能制备含有上百个原子的自由单原子链,本文提出利用探针从graphene中拉伸较长单原子碳链的设想,并通过分子动力学计算发现,室温下可以利用C60探针以1 m/s的速度从graphene的zigzag边缘拉出较长的一维单原子碳链,为实验提供了一种制备单原子碳链的可能方案. 关键词： 碳链 一维 分子动力学 探针     

LD泵浦Nd:YVO_4双波长运转腔内和频491nm激光器

分析了Nd:YVO4激光器实现双波长运转及腔内和频的条件,利用一种LD泵浦Nd:YVO4晶体产生1 064 nm和914 nm双波长激光束,采用一个线性平凹腔结构,利用腔内Ⅰ类临界相位匹配LBO和频,获得了连续波输出的全固态激光器。实验采用端面结构,在5.0 W的808 nm泵浦功率下,获得了最高功率为2.5 mW连续波TEM00的激光输出,光-光转换效率为0.05%。     

硼酸对亚微米级Ca3Sc2Si3O12:Ce绿色荧光粉的制备及发光性能的影响

采用凝胶-燃烧法合成了Ca₃Sc₂Si₃O₁₂ ∶Ce绿色LED用荧光粉,用X射线粉末衍射(XRD)、扫描电镜(SEM)、荧光光谱仪等对合成产物进行了分析和表征.结果表明:通过添加H₃BO₃做助熔剂,制得的荧光粉晶相纯正,颗粒形貌均呈现为较规则的类球形,而且所得荧光粉的粒径均小于1 μm.发射光谱呈现为一宽带,发射主峰位于505 nm,该宽峰对应于Ce³⁺关键词： 白光LED 荧光粉 3Sc₂Si₃O₁₂ ∶Ce')" href="#">Ca₃Sc₂Si₃O₁₂ ∶Ce 发光     

A new model for electromigration grain boundary noise based on free volume

Grain boundary plays a key role in electromigration process of polycrystal interconnection. We take a free volume to represent a 'vacancy--ion complex' as a function of grain boundary specific resistivity, and develop a new characterisation model for grain boundary noise. This model reveals the internal relation between the boundary scattering section and electromigration noise. Comparing the simulation result with our experimental result, we find the source as well as the form of noise change in the electromigration process. In order to describe the noise enhancement at grain boundary quantitatively, we propose a new parameter-grain boundary noise enhancement factor, which reflects that the grain boundary noise can characterise the electromigration damage sensitively.     

沉积参数对SiNx薄膜结构及阻透性能的影响

利用直流脉冲磁控溅射法在室温下制备无氢SiNx,薄膜.通过傅里叶变换红外光谱、台阶仪、紫外一可见分光光度计、接触角测量仪、透湿测试仪等表征技术,分析了N2流量、Si靶溅射功率等实验参数对SiNx薄膜成分、结构、及阻透性能、透光性能、接触角等性能的影响.研究结果表明,Si靶溅射功率固定时,在低N2流量条件下,或N2流量固定时,在高Si靶溅射功率条件下,制备的SiN,薄膜中Si-N键含量高,结构致密,薄膜对H2O的阻透性能优良,随着N2流量的增加或者Si靶溅射功率的降低,SiNx,薄膜成分、结构发生变化,红外光谱发生偏移,其对H2O的阻透性能下降.在N2流量为6 sccm,Si靶溅射功率为300 W时制备的SiN,薄膜在可见光波段透过率超过97.5%,对H2O的接触角为30,同时其对H2O的渗透系数最低,为0.764,综合性能满足柔性有机电致发光器件封装用阻透膜的要求,因此SiNx薄膜有望成为新一代柔性有机电致发光器件封装用阻透材料.