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.     

新工科背景下高分子材料类人才创新创业能力培养的改革与实践

近年来随着双一流建设的不断发展,高校更加注重对大学生创新创业能力的培养.本文基于新工科建设和工程教育专业认证的要求,以四川大学高分子材料与工程专业为例,通过构建分阶段分层次的培养步骤、全面实施"一条龙、全过程"本科生导师制、打造"本研协同"的专业培养模式以及加强实践能力培养,论述了高分子材料与工程专业学生创新创业能力的...     

弱酸HA与弱碱B-混合溶液缓冲能力分析*

计算了几个常见一元弱酸HA和一元弱碱B-混合溶液的pH,并对其缓冲能力进行了分析。结果表明,HA-B-溶液在一定的浓度条件下,具有一定的缓冲能力。当酸电离常数之比KHA/KHB接近1时,HA-B-溶液中主要存在HA-A-和HB-B- 2个缓冲对。随着KHA/KHB逐渐增大,B-的浓度越来越小,当KHA/KHB大于1 000时,HA-B-溶液主要存在的是HA-A-缓冲对。     

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。     

Alkali metal cation doping of metal-organic framework for enhancing carbon dioxide adsorption capacity

Metal-organic frameworks （MOFs） have attracted much attention as adsorbents for the separation of CO2 from flue gas or natural gas. Here, a typical metal-organic framework HKUST-I（also named Cu-BTC or MOF-199） was chemically reduced by doping it with alkali metals （Li, Na and K） and they were further used to investigate their CO2 adsorption capacities. The structural information, surface chemistry and thermal behavior of the prepared adsorbent samples were characterized by X-ray powder diffraction （XRD）, thermo-gravimetric analysis （TGA） and nitrogen adsorption-desorption isotherm analysis. The results showed that the CO2 storage capacity of HKUST-1 doped with moderate quantities of Li＋, Na＋ and K＋, individually, was greater than that of unmodified HKUST-1. The highest CO2 adsorption uptake of 8.64 mmol/g was obtained with 1K-HKUST-1, and it was ca. 11% increase in adsorption capacity at 298 K and 18 bar as compared with HKUST- 1. Moreover, adsorption tests showed that HKUST-1 and 1K-HKUST-1 displayed much higher adsorption capacities of CO2 than those of N2. Finally, the adsorption/desorption cycle experiment revealed that the adsorption performance of 1K-HKUST-1 was fairly stable, without obvious deterioration in the adsorption capacity of CO2 after 10 cycles.     

山东将形成第三方为补充的四级食品安全检测体系

<正>不久前,经山东省政府同意,省食品药品监管局、省发展改革委、省财政厅、省人力资源社会保障厅、省质监局等5部门联合印发《关于加强食品安全检验检测能力建设的指导意见》。指导意见确定了山东省食品检验检测能力建设目标,到2015年年底,初步形成以省级检验检测机构为龙头,市级检验检测机构为骨干,县级检验检测机构为基础,第三方检验检测机构为补充的食品安全检验检测能力,为"十三五"期间全面建成布局合理、协调统一、运转高效的食品安全检验检测体系奠定基础。指导意见对各级机构食品(含保健食品)检验检测能力、实验室总面积、仪器设备总值、专业技术人员比例等建     

Pt/MOx(M=Ni,Fe,Co,Ce)催化剂上CO氧化反应中抗H2O与CO2的性能研究

我们研究了4种负载型Pt催化剂（1Pt/NiO、1Pt/FeO_x、1Pt/Co₃O₄和Pt/CeO₂）上不同反应条件下CO氧化活性及抗H₂O和CO₂性能.发现反应气氛中CO₂的加入与CO形成了竞争吸附,并在催化剂表面形成了碳酸盐物种堵塞了活性位,从而导致催化剂失活.反应气氛中H₂O的加入对1Pt/CeO₂催化剂的活性有所抑制,但对1Pt/FeO_x、1Pt/NiO和1Pt/Co₃O₄催化剂的活性却有促进作用.在1Pt/FeO_x和1Pt/CeO₂催化剂上的分步反应实验和动力学研究表明,尽管H₂O的加入在两种催化剂上均与CO形成了竞争吸附,但在1Pt/FeO_x催化剂上H₂O在载体表面解离形成的羟基更易与CO反应,开辟了新的反应途径,从而提高了反应性能.此外,H₂O的加入能有效分解该催化剂上的碳酸盐物种,从而保持了其稳定性.     

对化学“实验能力”内涵的重新认识

"以实验为基础"的学科特征已成为化学界的共识,培养学生的化学实验能力是化学课程的重要目标之一,对化学"实验能力"内涵的正确认识是实现化学实验能力培养目标的前提。通过对不同历史时期化学教学大纲以及化学课程标准中对实验教学要求的演变分析,厘清了对"实验能力"内涵理解上的偏差,对化学"实验能力"内涵及其成分进行了界定。     

木麻黄质膜离子泵在酸雨条件下对镧的响应

研究镧对酸雨(pH为4.5)胁迫下木麻黄幼苗早期生长和质膜离子泵ATP酶活性的影响。结果表明:较低浓度La3+浸种能使幼苗株高、根长、鲜重以及质膜质子泵活性明显增强,在200mg·L-1La3+处理时达到最高增强值,而高浓度的La3+浸种使之表现出抑制效应;幼苗质膜钙泵的活性受La3+抑制。质子泵活性与细胞的伸长生长呈显著正相关关系,镧对质子泵的活化作用有助于促进植物的生长,且适量的镧具有缓解酸雨胁迫下生长的植物细胞质酸化,维持细胞内环境稳定的间接作用。为抗酸雨和促生长,木麻黄经镧浸种8h的最适宜La3+浓度为50～200mg·L-1。     

具有自修复能力的聚合物材料

各项性能已经达到工程材料指标要求的聚合物材料，在使用过程中不可避免地会产生裂纹，进而在使用过程中包藏着隐患，直至丧失使用价值。裂纹的早期修复，特别是自修复是一个现实而重要的问题。本文介绍了两类修复机制，即共价键与非共价键愈合，重点分析了近年来按共价键机理愈合、具有自修复能力的聚合物材料的研究成果、优缺点及发展前景。