Monte Carlo simulation of electric conductivity for pure and doping fullerene (C60)

In this paper, we have used Monte Carlo (MC) method to simulate and study the temperature and doping effects on the electric conductivity of fullerene (C60). The results show that the band gap has reduced by the doping and the charge carrier transport is facilitated from valence band to conduction band by the temperature where is touched a 300 K. In this case, the conductivity reached a value of $4\times {10}^{-7}\text{S}{\text{cm}}^{-1}$. The electric conductivity of C60 can increase by the triphenylmethane dye crystal violet (CV) alkali metal to reach $4\times {10}^{-3}\text{S}{\text{cm}}^{-1}$ at 303 K. Our results of MC simulation have a good agreement with those extracted from literature [10], [33].     

Theory of chemical bonds in metalloenzymes XXII: a concerted bond-switching mechanism for the oxygen–oxygen bond formation coupled with one electron transfer for water oxidation in the oxygen-evolving complex of photosystem II

ABSTRACT

QM(UB3LYP)/MM(AMBER) calculations were performed for the locations of the transition structure (TS) of the oxygen–oxygen (O–O) bond formation in the S₄ state of the oxygen-evolving complex (OEC) of photosystem II (PSII). The natural orbital (NO) analysis of the broken-symmetry (BS) solutions was also performed to elucidate the nature of the chemical bonds at TS on the basis of several chemical indices defined by the occupation numbers of NO. The computational results revealed a concerted bond switching (CBS) mechanism for the oxygen–oxygen bond formation coupled with the one-electron transfer (OET) for water oxidation in OEC of PSII. The orbital interaction between the σ-HOMO of the Mn(IV)₄–O₍₅₎ bond and the π*-LUMO of the Mn(V)₁=O₍₆₎ bond plays an important role for the concerted O–O bond formation for water oxidation in the CaMn₄O₆ cluster of OEC of PSII. One electron transfer (OET) from the π-HOMO of the Mn(V)₁=O₍₆₎ bond to the σ*-LUMO of the Mn(IV)₄–O₍₅₎ bond occurs for the formation of electron transfer diradical, where the generated anion radical [Mn(IV)₄–O₍₅₎]^-? part is relaxed to the ?Mn(III)₄?…?O₍₅₎^- structure and the cation radical [O₍₆₎=Mn(V)₁]⁺ ? part is relaxed to the ⁺O₍₆₎–Mn(IV)₁? structure because of the charge-spin separation for the electron-and hole-doped Mn–oxo bonds. Therefore, the local spins are responsible for the one-electron reductions of Mn(IV)₄->Mn(III)₄ and Mn(V)₁->Mn(IV)₁. On the other hand, the O₍₅₎^- and O₍₆₎⁺ sites generated undergo the O–O bond formation in the CaMn₄O₆ cluster. The Ca(II) ion in the cubane- skeleton of the CaMn₄O₆ cluster assists the above orbital interactions by the lowering of the orbital energy levels of π*-LUMO of Mn(V)₁=O₍₆₎ and σ*-LUMO of Mn(IV)₄–O₍₅₎, indicating an important role of its Lewis acidity. Present CBS mechanism for the O–O bond formation coupled with one electron reductions of the high-valent Mn ions is different from the conventional radical coupling (RC) and acid-base (AB) mechanisms for water oxidation in artificial and native photosynthesis systems. The proton-coupled electron transfer (PC-OET) mechanism for the O–O bond formation is also touched in relation to the CBS-OET mechanism.     

2.4GHz动态CMOS分频器的设计

对现阶段的主流高速CMOS分频器进行分析和比较,在此基础上设计一种采用TSPC(truesingle phase clock)和E-TSPC(extended TSPC)技术的前置双模分频器电路.该分频器大大提高了工作频率,采用0.6μm CMOS工艺参数进行仿真的结果表明,在5V电源电压下,最高频率达到3GHz,功耗仅为8mW.     

两个DEA的逆问题的解法的探讨

文[1]提出了两个DEA的逆问题，并用搜索法来解．而本文根据所证的定理，对每个问题一般只要解二、三个线性规划问题就能得到答案．     

嵌人式与独立存储器设计上的差异分析和研究

进入21世纪,随着集成电路的发展,SoC(System on Chip)片上系统应运而生。而作为SoC重要组成部分的嵌入式存储器,在SoC中所占的比重正逐步增加,并起着越来越重要的作用,那么嵌入式存储器与独立的存储器芯片在设计上存在着哪些差异?对此本文将以NOR型闪存为例在制造工艺的选取、衍生产品的设计、功耗与噪声、后端功能仿真、测试与修复等方面进行分析和研究。     

Platinum Binuclear Complexes as Phosphorescent Dopants for Monochromatic and White Organic Light‐Emitting Diodes

Efficient blue‐, green‐, and red‐light‐emitting organic diodes are fabricated using binuclear platinum complexes as phosphorescent dopants. The series of complexes used here have pyrazolate bridging ligands and the general formula C^∧NPt(μ‐pz)₂PtC^∧N (where C^∧N = 2‐(4′,6′‐difluorophenyl)pyridinato‐N,C^2′, pz = pyrazole ( 1 ), 3‐methyl‐5‐tert‐butylpyrazole ( 2 ), and 3,5‐bis(tert‐butyl)pyrazole ( 3 )). The Pt–Pt distance in the complexes, which decreases in the order 1 > 2 > 3 , solely determines the electroluminescence color of the organic light‐emitting diodes (OLEDs). Blue OLEDs fabricated using 8 % 1 doped into a 3,5‐bis(N‐carbazolyl)benzene (mCP) host have a quantum efficiency of 4.3 % at 120 Cd m^–2, a brightness of 3900 Cd m^–2 at 12 V, and Commission Internationale de L'Eclairage (CIE) coordinates of (0.11, 0.24). Green and red OLEDs fabricated with 2 and 3 , respectively, also give high quantum efficiencies (～ 6.7 %), with CIE coordinates of (0.31, 0.63) and (0.59, 0.46), respectively. The current‐density–voltage characteristics of devices made using dopants 2 and 3 indicate that hole trapping is enhanced by short Pt–Pt distances (< 3.1 Å). Blue electrophosphorescence is achieved by taking advantage of the binuclear molecular geometry in order to suppress dopant intermolecular interactions. No evidence of low‐energy emission from aggregate states is observed in OLEDs made with 50 % 1 doped into mCP. OLEDs made using 100 % 1 as an emissive layer display red luminescence, which is believed to originate from distorted complexes with compressed Pt–Pt separations located in defect sites within the neat film. White OLEDs are fabricated using 1 and 3 in three different device architectures, either with one or two dopants in dual emissive layers or both dopants in a single emissive layer. All the white OLEDs have high quantum efficiency (～ 5 %) and brightness (～ 600 Cd m^–2 at 10 V).     

光电设备电子机柜布线工艺研究

作为信号和电能载体的导线，同时也是噪声的载体和外来噪声侵入设备的媒体。描述了噪声通过导线侵入设备内部的方式，通过降低噪声的途径确定了机柜布线的原则，介绍了布线的要求和方法，最后提出了用布线槽布线的建议。     

1/f noise in large-area Hg<Subscript>1−x</Subscript>Cd<Subscript>x</Subscript>Te photodiodes

The 1/f noise in photovoltaic (PV) molecular-beam epitaxy (MBE)-grown Hg_1−xCd_xTe double-layer planar heterostructure (DLPH) large-area detectors is a critical noise component with the potential to limit sensitivity of the cross-track infrared sounder (CrIS) instrument. Therefore, an understanding of the origins and mechanisms of noise currents in these PV detectors is of great importance. Excess low-frequency noise has been measured on a number of 1000-μm-diameter active-area detectors of varying “quality” (i.e., having a wide range of I-V characteristics at 78 K). The 1/f noise was measured as a function of cut-off wavelength under illuminated conditions. For short-wave infrared (SWIR) detectors at 98 K, minimal 1/f noise was measured when the total current was dominated by diffusion with white noise spectral density in the mid-10⁻¹⁵A/Hz^1/2 range. For SWIR detectors dominated by other than diffusion current, the ratio, α, of the noise current in unit bandwidth i_n(f = 1 Hz, V_d = −60 mV, and Δf = 1 Hz) to dark current I_d(V_d = −60 mV) was α_SW-d = i_n/I_d ∼ 1 × 10⁻³. The SWIR detectors measured at 0 mV under illuminated conditions had median α_SW-P = i_n/I_ph ∼ 7 × 10⁻⁶. For mid-wave infrared (MWIR) detectors, α_MW-d = i_n/I_d ∼ 2 × 10⁻⁴, due to tunneling current contributions to the 1/f noise. Measurements on forty-nine 1000-μm-diameter MWIR detectors under illuminated conditions at 98 K and −60 mV bias resulted in α_MW-P = i_n/I_ph = 4.16 ± 1.69 × 10⁻⁶. A significant point to note is that the photo-induced noise spectra are nearly identical at 0 mV and 100 mV reverse bias, with a noise-current-to-photocurrent ratio, α_MW-P, in the mid 10⁻⁶ range. For long-wave infrared (LWIR) detectors measured at 78 K, the ratio, α_LW-d = i_n/I_d ∼ 6 × 10⁻⁶, for the best performers. The majority of the LWIR detectors exhibited α_LW-d on the order of 2 × 10⁻⁵. The photo-induced 1/f noise had α_LW-P = i_n/I_ph ∼ 5 × 10⁻⁶. The value of the noise-current-to-dark-current ratio, α appears to increase with increasing bandgap. It is not clear if this is due to different current mechanisms impacting 1/f noise performance. Measurements on detectors of different bandgaps are needed at temperatures where diffusion current is the dominant current. Excess low-frequency noise measurements made as a function of detector reverse bias indicate 1/f noise may result primarily from the dominant current mechanism at each particular bias. The 1/f noise was not a direct function of the applied bias.     

从PZT体系看无铅压电陶瓷的可能应用

总结了主要以(Bi0.5Na0.5)TiO3和NaNbO3为基的无铅压电陶瓷的性能，以Pb(Ti，Zr)TiO3基二元系、三元系压电陶瓷的性能与应用为参考，分析了无铅压电陶瓷可能的器件应用。此外，还对拓宽无铅压电陶瓷应用需要改进的性能提出了建议。     

基于扩展分形和CFAR特征融合的SAR图像目标识别

研究了多信息融合技术在SAR图像目标识别中的应用。将扩展分形特征(Extended Fractal)与双参数恒虚警特征(Double Parameter CFAR)形成的多信息进行融合处理。运用Dempster-Shafer证据理论，在决策层对SAR图像中的像素进行识别分类。实验结果表明通过融合对像素分类的准确性明显好于单特征的检测结果，减少了虚警概率，提高了系统的识别能力。