A molecular dynamics study of ion migration in a doped electroactive polymer

Simulating the \hbox{BF}_{4}^{-} -doped poly(3-octylthiophene) lattice by molecular dynamics results in a structure in which dopant ions intercalate as a sandwich between thiophene rings on adjacent polymer chains. The ions occupy sites in channels parallel to the polymer main chain, which retains a high degree of planarity in contrast to the pristine (undoped) polymer. Even when lattice imperfections are created by expanding the cell, Coulomb forces ensure that the intercalation features containing the dopant channels are largely retained. On applying electric fields in the principal directions of the 'perfect lattice' it is found that the ions migrate most readily along the ion-channel directions (the lattice c axis), leaving the lattice undisturbed. Although higher electric fields cause dopant migration to occur perpendicular to the channel directions they destroy the intercalated lattice. In the reduced-order lattice regions substantial motion of the ions are predicted at a critical value of the lattice parameter.     

Boron segregation control in silicon crystal ingots grown in Czochralski process

Boron-doped silicon single crystals of 207 mm diameter with various growing conditions are grown from a large amount of the melt in the cusp-magnetic Czochralski method, and the effects of growing parameters on dopant concentrations in the crystals are experimentally investigated. Equilibrium distribution coefficient of boron calculated by BPS model is 0.716. With the crystal rotation (ω) of 13 rpm and the crucible rotation of , the effective distribution coefficient (k_e) is 0.751 in zero magnetic strength and increases up to 0.78 in the magnetic strength of 640 G. For , there is no significant influence of ω on k_e. With , k_e is almost unity. The experimental results are compared with theory.     

Surface Chemistry and Catalytic Reactivity of Borocarbonitride in Oxidative Dehydrogenation of Propane

Borocarbonitride (BCN) materials are newly developed oxidative dehydrogenation catalysts that can efficiently convert alkanes to alkenes. However, BCN materials tend to form bulky B₂O₃ due to over-oxidation at the high reaction temperature, resulting in significant deactivation. Here, we report a series of super stable BCN nanosheets for the oxidative dehydrogenation of propane (ODHP) reaction. The catalytic performance of the BCN nanosheets can be easily regulated by changing the guanine dosage. The control experiment and structural characterization indicate that the introduction of a suitable amount of carbon could prevent the formation of excessive B₂O₃ from BCN materials and maintain the 2D skeleton at a high temperature of 520 °C. The best-performing catalyst BCN exhibits 81.9 % selectivity towards olefins with a stable propane conversion of 35.8 %, and the propene productivity reaches 16.2 mmol h⁻¹ g⁻¹, which is much better than hexagonal BN (h-BN) catalysts. Density functional theory calculation results show that the presence of dispersed rather than aggregated carbon atoms can significantly affect the electronic microenvironment of h-BN, thereby boosting the catalytic activity of BCN.     

掺杂聚苯胺溶致液晶相的产生和表征

聚苯胺（PAN）具有共轭结构,从理论上满足形成液晶相的基本条件［1,2］．但由于聚苯胺难溶、难熔,长期以来对于聚苯胺溶液（尤其是浓溶液）或熔体的研究甚少．近年来,人们采用具有“增塑作用”的大分子功能质子酸对聚苯胺进行掺杂,获得可溶于多种有机溶剂中的掺杂态聚苯胺［3～5］．然而,聚苯胺溶液的结构与性能的特点及能否产生溶致液晶相等问题目前尚未见报道．为此,我们研究了十二烷基苯磺酸（DBSA）掺杂聚苯胺在有机溶剂中形成液晶相的条件,探讨了不同掺杂方法对PAN－DBSA的溶解性及形成液晶棺的影响;采用差式扫描量热分…     

1 550 nm波长PNP型InGaAsP-InP异质结晶体管激光器材料设计与外延生长

基于器件模拟仿真,设计了一种PNP型1.5 μm 波长多量子阱InGaAsP-InP异质结晶体管激光器材料外延结构,并采用金属有机化学气相沉积外延生长.其中基区采用N型Si掺杂.因为扩散系数小,比较P型Zn搀杂具有较高的稳定性,因而较NPN结构外延材料容易获得高质量的光学有源区.由于N型欧姆接触比P型容易获得,基区搀杂浓度可以相对较低,有利于减小基区光损耗和载流子复合,从而获得较低的阈值电流和较高的输出光功率.所获得的外延材料呈现较高光-荧光谱峰值和65.1 nm较低半峰宽.测试结果显示了较高的外延片光学质量.     

Optimisation of electrical parameters in Fe DS-SBTFET and its application as a digital inverter

In this paper, the design geometry of Ferroelectric Dopant Segregated Schottky Barrier Tunnel Field Effect Transistor (Fe DS-SBTFET) has been proposed. Various electrical properties such as I_ON/I_OFF ratio and subthreshold swing (SS) of the proposed design have been premeditated and compared with different asymmetric structures. The impact of various types and thickness of buffer on the ferroelectric properties have been analysed. The device has been optimised for various doping concentrations and lengths of the dopant segregated layer (DSL). The digital applications of the proposed device in terms of complementary TFET digital inverter circuit have been studied. The transient characteristics and the delay parameters by considering various ferroelectric thicknesses have been analysed. Moreover, the transfer characteristics and electric field have been explored in the presence and absence of ferroelectric layer to obtain a better insight into the ferroelectric properties of the proposed structure. The electric field at the tunnelling junction is enhanced by the presence of ferroelectric layer which improves the ON current. The structure with ferroelectric thickness of 6 nm provides the best I_ON/I_OFF ratio of 1.2 × 10⁹ and SS of 14 mV/dec.     

Resistivity dependence of minority carrier lifetime and cell performance in p-type dendritic web silicon ribbon

This study shows that the bulk lifetime in 95 μm thick p-type dendritic web silicon solar cells is a strong function of bulk resistivity. The higher the resistivity, the greater the bulk lifetime. This behavior is explained on the basis of dopant–defect interaction, which increases the lifetime limiting trap concentration with the addition of dopant atoms. Model calculations show that in the absence of doping dependence of bulk lifetime (τ), 2 Ω cm web should give the best cell efficiency for bulk lifetimes below 30 μs. However, strong doping dependence of bulk lifetime in p-web cells shifts the optimum resistivity from 2 to 15 Ω cm. Bulk lifetime in the as-grown web material was found to be less than 1 μs for all the resistivities. After the cell processing which involves phosphorus gettering, aluminum gettering, and SiN induced hydrogen passivation of defects, the bulk lifetime increased to 6.68, 11, 31 and 68.9 μs in 0.62, 1.37, 6.45 and 15 Ω cm p-type web material, respectively. Therefore, cell process induced recovery of lifetime in web is doping dependent, which favors high resistivity. Solar cells fabricated on 95 μm thick web silicon by a manufacturable process involving screen-printing and belt-line processing gave 14.5% efficient 4 cm² cells on 15 Ω cm resistivity. This represents a record efficiency for such a thin manufacturable screen-printed cell on a low-cost PV grade Si ribbon that requires no wafering or etching.     

控制CO选择氧化反应中金催化剂热点形成的新方法

采用沉积-沉淀法制备了Al2O3和MOx-Al2O3(M=Fe,Zn)负载型金催化剂.室温下对其CO氧化及富氢条件下CO选择氧化催化活性进行了广泛的研究.催化剂床层温度由热电偶直接测定.催化剂表面温度与O2/CO的体积比以及CO和H2的浓度密切相关.在CO氧化反应过程中Au/Al2O3催化剂的温度可高达170°C,添加FeOx可使其降至55°C.利用一系列仪器(X射线衍射仪,X射线光电子能谱仪和透射电镜等)对催化剂的结构进行了表征.结果显示Al2O3负载型金催化剂热点的形成可以通过添加合适的助剂很好地控制.助剂的添加能够使催化剂活性中心由金属态Au变为AuIII,从而导致了CO选择氧化反应机理不同.     

Strain evolution and dopant activation in P-lmplanted metastable pseudomorphic Si(100)/Ge0.12Si0.88

A metastable Ge_0.12Si_0.88 layer 265 nm thick was deposited pseudomorphically on a Si(100) substrate and then implanted with 100 keV phosphorus ions at room temperature for doses of 5 × 10¹³/cm² to 1.5 × 10¹⁵/cm². The ions stop within the epilayer (projected range ∼125 nm). MeV⁴He backscattering/channeling spectrometry, transmission electron microscopy, and double-crystal x-ray diffractometry were used to characterize the damage and strain in the films. The samples were subsequently annealed in high vacuum from 400-800°C for 30 min at each temperature. For the nonamorphized samples (doses of 5 and 10 × 10¹³/cm²), most of the implantation-induced damage and strain disappear after annealing at 400-550°C, but the implanted P ions activate poorly. After annealing at 700-800°C, near complete activation is achieved but the strain relaxes. For the amorphized samples (dose of 1.5 × 10¹⁵/cm²), the amorphous GeSi regrows by solid-phase epitaxy and the dopants are ∼100% activated after annealing at 550°C, but the regrown GeSi relaxes with a high density of dislocations. The strain relaxes more extensively upon annealing in an implanted sample than in a nonimplanted one, other conditions being equal. This effect is more pronounced at higher ion doses, probably due to the increased amount of damage introduced at high doses. On leave from Yonsei University, Seoul 120-749, Korea     

Single dopant diffusion in semiconductor technology

The paper deals with the analysis of pair diffusion models in semiconductor technology. The underlying model contains reaction‐drift‐diffusion equations for the mobile point defects and dopant‐defect pairs as well as reaction equations for immobile dopants which are coupled with a non‐linear Poisson equation for the chemical potential of the electrons. For homogeneous structures we present an existence and uniqueness result for strong solutions. Starting with energy estimates we derive further a priori estimates such that fixed point arguments due to Leray–Schauder guarantee the solvability of the model equations. Copyright © 2004 John Wiley & Sons, Ltd.