Algorithms,genetics, and populations: The schemata theorem revisited

Models for the genetic evolution of natural populations have supplied the inspiration for the adaptive computer algorithms known as “genetic algorithms.” In its original form, a genetic algorithm simulates the evolution of a haploid population: Genetic variation is produced by mutation at a number of genetic loci in a chromosome, represented as a string of bits, and the variants in the various chromosomes are reshuffled by genetic recombination. In nature, the ability of a haploid individual to survive and reproduce is expressed as its fitness; in computer science the value of a string is measured by its ability to program a given task. The performance of genetic algorithms is evaluated in the “schemata theorem,” which we present and discuss in the context of the population genetics of multiple loci and propose a generalization of the theorem. © 1998 John Wiley & Sons, Inc.     

Recombination in complex systems – an analytical approach

A new analytical model is proposed to describe the kinetics of trapping and recombination of charge carriers in complex systems with an arbitrary spatial distribution of traps and recombination centres. The structural properties of a material are described by two functions Γ_m and Γ_n irrespective of the thermal history of the sample. A simple method is proposed to determine the function Γ_m from simultaneous thermoluminescence (TL) and thermally stimulated conductivity (TSC) measurements.     

GaP-LED磁致消光效应

本文介绍了测量GaP—LED发光强度随磁场强度变化曲线的实验,实验发现,LED的发光强度下降,此现象称为LED的磁致消光效应,并由此推论出在磁场中半导体中的激子辐射复合发生衰减。     

光催化全分解水制氢中助催化剂表面氢氧复合反应的抑制

在光催化全分解水产氢的过程中, Pt等助催化剂在催化产生氢的同时也会诱导催化氢气和氧气重新复合为水的逆反应,严重降低了悬浮体系光催化全分解水产氢的效率.我们综述了近年来在逆反应抑制方面的研究进展,总结和对比分析了各种抑制逆反应策略的特点,并对将这些方法应用于悬浮体系光催化全分解水制氢的前景进行了展望.     

Spin-dependent recombination of the charge-transfer state in photovoltaic polymer/fullerene blends

ABSTRACT

Q-band electron spin echo (ESE) spectroscopy was applied for studying the spin-dependent recombination of charge transfer (CT) states in the benchmark organic photovoltaics (OPV) blend of poly(3-hexylthiophene-2,5-diyl) and [6,6]-phenyl C61 butyric acid methyl ester (P3HT/PC₆₀BM). Selective microwave excitation and a special protocol for ESE data treatment allowed to suppress the ESE signal of thermalised polarons and weakly coupled CT states and to address CT states with a relatively short distance between positive and negative polarons (1.5 nm < r?<?2.5 nm). Inversion of the in-phase ESE signal with increase of the delay after laser flash was observed for the regioregular P3HT^?+/PC₆₀BM^?? CT state at a temperature of 40 K. This effect is very similar to the inversion of the time resolved (TR) EPR spectrum of the same system obtained previously. Both effects can be explained by spin-dependent recombination of the CT state, with the recombination via the triplet channel proceeding much slower than via the singlet channel. For the regiorandom P3HT^?+/PC₆₀BM^?? CT state no ESE sign inversion was observed in an analogous experiment. The result suggests the importance of CT state formation via a triplet exciton, a process which was not considered previously for the P3HT/PC₆₀BM blend.     

氧气氛烧结电极对染料敏化太阳电池微观性能影响机理研究

为了改善染料敏化太阳电池内电子的传输复合过程, 研究者尝试不同方法制备或改性TiO₂薄膜. 不同烧结气氛可以改变TiO₂薄膜的表面特性, 是一种有效的方法并被广泛研究. 采用两步烧结法制备氧气氛烧结TiO₂电极并应用于染料敏化太阳电池:第一步将电极在空气或氧气氛中510℃保温30 min以清除TiO₂薄膜中有机物; 第二步将电极进一步在氮气氛中510℃保温10 min以移除电极表面吸附的多余氧原子. 通过与空气烧结电池宏观性能及微观性能的对比, 细致研究了氧气氛烧结电极表面特性对染料敏化太阳电池传输复合微观动力学过程的影响机制. TiO₂薄膜表面特性及带边移动、电子传输复合过程的表征分别借助XPS能谱仪和强度调制光电流谱(IMPS)/强度调制光电压谱(IMVS)等探测技术完成. 结果表明, 氧气烧结电极Ti³⁺复合中心减少, 使电池内部电子复合得到有效抑制. 同时, 氧气烧结电极染料吸附量增加且导带边正移, 使得光生电子浓度升高, 膜内电子传输过程加快. 最终, 氧气烧结电极有效改善了电池光吸收效率、电子收集效率以及注入效率, 使电池效率由6.90%提升至7.53%.     

染料敏化太阳能电池中额外给体引入对经典D-π-A型敏化剂性能影响的理论研究

为了探讨D-D-π-A型染料中双给体对敏化剂性能的影响, 本文结合密度泛函理论(DFT)及含时密度泛函理论(TD-DFT)对染料1~4的几何结构、 电子结构、 吸收光谱、 电化学性质、 电子复合程度以及半导体导带边缘的移动等进行了对比研究. 结果表明, 相比于经典的D-π-A型染料分子1, 在分子2~4(D-D-π-A型双给体染料) 中额外引入给体, 尽管对导带能级移动的改变不是很显著, 但是可以改变体系的共轭程度, 增加染料的光吸收强度. 重要的是, 额外给体的引入可以显著增加染料阳离子空穴-半导体之间的距离, 从而减缓注入电子与染料阳离子的复合; 在额外给体中引入杂原子可以使I₂聚集在染料外侧, 从而降低电解质在半导体表面的局域浓度, 进而减缓注入电子与电解质之间的复合速率. 因此, 通过在经典的D-π-A型染料上引入额外的电子给体构筑D-D-π-A型染料可以有效调节染料的光吸收、 电化学及电子复合等方面的性质, 是设计合成高性能染料的可行策略.     

Modeling and analysis of the effects of inhomogeneous carrier distributions in InGaN multiple quantum wells

It is well known that carrier distribution in InGaN multiple quantum wells (MQWs) can be significantly inhomogeneous. However, the conventional ABC recombination model assumes that carriers are uniformly distributed throughout the MQW. In this paper, a modified ABC model that considers the unequal carrier density in the QWs was developed. From the analysis of the developed ABC model, the effective recombination coefficients and modified internal quantum efficiency (IQE) were obtained for an arbitrary carrier distribution in MQWs. The efficiency droop was found to be aggravated as the carrier distribution was increasingly inhomogeneous. However, it was also found that the effect of inhomogeneous carrier distribution alone was not sufficient to explain the IQE droop with the theoretical Auger recombination coefficient based on indirect Auger processes. The developed ABC model is expected to provide insight into the influence of inhomogeneous carrier distributions in MQWs on the efficiency droop in GaN-based light-emitting diodes.     

SiW12、CsPbI3协同提高TiO2纳米管光电转换效率的研究

为克服TiO₂纳米管在光电转换时电子-空穴复合率高和吸收光谱范围窄的缺陷,利用多酸H₄SiW₁₂O₄₀(SiW₁₂)和CsPbI₃量子点对其协同修饰,采用电沉积法将SiW₁₂沉积在TiO₂纳米管上,制备了SiW₁₂/TiO₂纳米管复合薄膜;使用高温热注射法合成出CsPbI₃量子点,再通过化学浴沉积法沉积CsPbI₃量子点到复合薄膜上,得到SiW₁₂/CsPbI₃/TiO₂纳米管复合薄膜,探究SiW₁₂沉积时间、CsPbI₃沉积次数对TiO₂纳米管光电性能的影响。利用扫描电子显微镜(SEM)、能谱仪(EDS)、透射电子显微镜(TEM)、X射线衍射(XRD)仪、红外分光光度计(FT-IR)、紫外-可见分光光度计(UV-Vis)对薄膜进行表征,使用电化学工作站测试薄膜的光电化学性能。结果表明:TiO₂纳米管沉积多酸SiW₁₂和CsPbI₃量子点后,光吸收范围扩大、电荷转移电阻降低,光电转换效率得到显著提升,最高达到0.52%。说明SiW₁₂和CsPbI₃的协同作用很好地抑制了TiO₂纳米管电子-空穴的复合,并拓宽了吸收光谱范围,提高了TiO₂纳米管的光电转换效率。     

相对标定电荷交换复合谱及束发射谱测量杂质浓度的方法研究

采用数值模拟方法计算了HL-2A装置上电荷交换复合谱和束发射谱的强度,并根据两种光谱的比值得到碳和氦杂质的浓度,与初始假设对比后验证了该方法理论上的可靠性。实验上采用一台三光栅光谱仪系统,利用同一视线、同时测量了碳(CⅥ)、氦(HeⅡ)的电荷交换复合谱及中性束发射谱,首次在HL-2A装置上同步获得了C6+、He2+离子的绝对浓度剖面。该方法采用了相对强度标定而非复杂的绝对强度标定,并且避免了中性束衰减计算。