应用于染料敏化太阳能电池的基于染料R6的含有不同吸电子基团的有机染料的理论研究

Dye-sensitized solar cells (DSSCs) are the most promising alternatives to traditional fossil energy because of their advantages of low production cost, facile structure, relatively low environmental impact, relatively high photoelectronic absorption efficiency, and overall high efficiency. In addition, several studies on sensitizers as vital components have been conducted over the last three decades. Compared to metal dyes, metal-free organic dyes have been considered as promising candidates because of their simple fabrication, multiple structures, high molar absorption coefficients, easily tunable properties, and environmental friendliness. In this study, we systematically investigated the optoelectronic properties of six metal-free organic donor-acceptor dyes (RD1–6) derived from the known dye R6 by using the density functional theory (DFT) and time-dependent DFT methods. Cell performance parameters were discussed, including the geometrical and electronic structures, absorption spectrum, adsorption energy, light harvesting efficiency (LHE) curve, predictive short circuit current density (J_sc^Pred.), predictive open circuit voltage (V_oc^Pred.), and theoretical power conversion efficiency (PCE). Results revealed that all the designed dyes exhibited high theoretical PCE. In particular, dyes RD1, 2, and 4–6 showed greater conjugations, and dyes RD1–3 had smaller energy gaps than those of the reference dye. In addition, dyes RD1–3, 5, and 6 exhibited better light harvesting capacities that covered the entire visible region and extended to the near-infrared region with obviously red-shift maximum absorption wavelengths (λ_max), wider LHE curves, and higher J_sc^Pred. as compared to the reference dye. It was critical that dyes RD1 and 2 not only have greater conjugations and narrow band gaps but also good light harvesting capacities with more than 56-nm red-shift maximum absorption wavelengths and broadened LHE curves than those of the reference dye. Notably, mainly because of an average increment of 12.0% of J_sc^Pred., a remarkable increment of the theoretical power conversion efficiency was observed from 12.6% for dye R6 to 14.1% for dyes RD1 and 2. Thus, dyes RD1 and 2 exhibited superior cell performances and could be promising sensitizer candidates for highly efficient DSSCs. These results could be used to guide effective synthetic efforts in the discovery of efficient metal-free organic dye sensitizers in DSSCs.     

基于合成方法学研究的有机化学实验教学改革与实践——以苯甲酸乙酯制备为例

以苯甲酸乙酯的制备实验为例,将合成方法学研究引入有机化学实验教学。采取抽签方式确定每个学生的实验内容,通过考查加热方式(电热套或微波辐射加热)、溶剂(甲苯或环己烷)以及反应时间对实验结果的影响,使学生了解科学研究的方法,并通过文献查阅及实验结果分析讨论等教学实践环节提高学生的创新思维和科研能力。     

2021年北京学业水平等级性考试化学卷命题理念的分析*

结合典型试题分析,从基础知识的融会贯通、学科能力的有效发展、学科思想的深入渗透等3个方面,探讨了2021年北京学业水平等级性考试化学卷的命题理念。说明了试题在营造良好教考互动生态、破除机械刷题、衔接高等教育和中学教育过程中发挥的积极作用。     

基于透明质酸构筑的药物递送载体及其应用

传统纳米药物控释载体主要通过细胞胞吞作用实现药物递送,其主要过程为被动靶向机制,因此会影响纳米载体在肿瘤组织的富集和治疗效果.近年来生物大分子透明质酸因其优异的水溶性、生物相容性、可降解性和肿瘤靶向性备受科研工作者青睐,已被广泛用于药物控释载体的构筑中,并成为靶向肿瘤治疗纳米载体领域的研究热点.本文根据透明质酸基纳米载...     

普物实验教学应科学引导学生进行知能整合

以“电池电动势和内阻的测定”为例,简述了在普物实验教学中,科学引导学生进行知能整合的过程,使科学知识与相关知识的应用实现了最佳的整合,提高了学生设计实验、实验测量、科学评定实验过程及测量结果的能力。     

加强物理实验改革培养学生创新能力

本文阐述了物理实验在培养创新能力方面的重要作用,针对物理实验存在的问题提出了改革措施,从而达到培养学生创新能力的目的。     

综合性、设计性实验教学的探讨

综合性、设计性实验是培养学生的创新意识、创新精神和创新能力的有效措施;本文就开设综合性、设计性实验的意义、内涵、与基础实验的关系以及如何设计项目内容进行了初步的探讨。     

Modeling of reinitiation ability of polymer brushes grown by surface‐initiated photoiniferter‐mediated photopolymerization

A kinetic model developed to investigate surface‐initiated photoiniferter‐mediated photopolymerization (SI‐PMP) and parameterized using experimental thickness data from SI‐PMP of methyl methacrylate is used to examine chain extension by reinitiation. Specifically, the effects of light intensity, concentration of an added deactivator, tetraethylthiuram disulfide (TED), and initial photoiniferter (PI) concentration on the reinitiation ability of surface‐tethered PMMA layers is examined in detail. The simulations show that while increases in [TED] and decreases in light intensity affect overall rates of PMMA layer growth in a similar fashion, their effect on reinitiation ability of PMMA layers is significantly different: reinitiation ability increases with increasing [TED] but it is not improved by decreases in light intensity. Simulations also suggest that polymer layers synthesized in the presence of TED have a greater tendency to form surface‐tethered block copolymers upon reinitiation compared with polymer layers synthesized without TED and at lower light intensity. While both [PI] and [TED] affect the reinitiation ability, the effect of [TED] on reinitiation ability is identical at a given [TED]/[PI] ratio for all PI and TED concentrations tested. These findings obtained from the rate‐based model are instrumental in delineating strategies for creating tethered block copolymer layers or mixed brushes by SI‐PMP. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 48: 1586–1593, 2010     

Pd-Si binary bulk metallic glass

Pd_80+x Si_20−x (x = 0, 1, and 2) binary metallic glasses with the diameter ranging from 7 to 8 mm were prepared by a combination of fluxing and water quenching or air cooling. Thermal analysis results show that with increasing Si content, the glass transition temperature T _g, the initial crystallization temperature T _x and the onset crystallization temperature T _p of Pd-Si binary glassy alloys increase. Moreover, the supercooled liquid region reaches 61 K. It indicates that Pd-Si binary alloys possess large glass forming ability, which can be greatly improved by fluxing treatment. Supported by the National Basic Research Program of China (Grant No. 2007CB613905) and the National Natural Science Foundation of China (Grant Nos. 50671050 and 50431030)     

A functionalized dianthryl tetraaza macrocycle having the recognizing and switching ability

The synthesized macrocycle L is the novel fluorescent receptor having the switching ability by the external stimuli as well as having the recognizing ability of various metal ions. In particular, this macrocycle L shows the possibility of the selectivity of metal ions even in the same charge ions of a different metal, and the values of association constant (M⁻¹) of that for metal ions are consistent with the tendency of increasing charge number of metal ion. In addition, the values of quantum yield (Φ_F) of metal complexes of macrocycle L were ranged from 0.021 to 0.111 enough to recognize the metal ions in macrocycle L. We know from the fluorescent pH titration of macrocycle L by acid/base that the change of fluorescence intersects at about pH=5.