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1.
以能斯特方程为基础, 通过分析电流密度与氧化还原物种活度变化, 即载流子浓度变化的关系, 计算出有机半导体材料电极电势的变化, 从而建立起有机半导体前线轨道, 即最高占据分子轨道(HOMO)能级和最低未被占据分子轨道(LUMO)能级相对于热力学平衡态的能量位移随电流密度变化的数学关系. 进而依据能级能量位移引起的能隙变化, 提出了有机电致发光显示器(OLED)中“热激子”的产生机制. 相似文献
2.
《Arabian Journal of Chemistry》2022,15(7):103922
Recently, the visible-light photoredox decarboxylative couplings of N-(acyloxy)phthalimides (NHPI esters) and its derivatives have become an efficient chemical transformation. Under visible light, the NHPI esters undergo a single-electron transfer (SET) process to afford the corresponding carbon or nitrogen radicals that participate in many chemical transformations. The photoredox decarboxylative couplings have been applied to achieve construction of an array of carbon–carbon and carbon–heteroatom bonds as well as the synthesis of carbocycles and heterocycles. This review categorises photocatalysts, discusses the application and catalysis mechanisms of NHPI esters, and details recent progress in this field. 相似文献
3.
《Arabian Journal of Chemistry》2022,15(9):104026
Organic carbonyl-based compounds with redox-active site have recently gained full attention as organic cathode material in lithium-ion batteries (LIBs) owing to its high cyclability, low cost, high abundance, tunability of their chemical structure compared to traditionally used inorganic material. However, the utilization of organic carbonyl-based compounds in LIBs is limited to its poor charge capacity and dissolution of lower molecular weight species in electrolytes. In this study, we theoretically investigated five set of cyclohexanone derivatives (denoted as: H1, H2, H3, H4, and H5) and influence of functional groups (-F and -NH2) on their electrochemical properties using advanced level density functional theory (DFT) with the Perdew-Burke-Ernzenhof hybrid functional (PBE0) at 6-31+G(d,p) basis set. In line with the result gotten, the HOMO-LUMO results revealed that compound H5 is the most reactive among the studied cyclohexanone derivatives exhibiting energy gap values of 0.552, 0.532, 0.772 eV for free optimized structures and structurally engineered structures with electron withdrawing group (EWG) and electron donating group (EDG) respectively. Also, results from electrochemical properties of the studied compounds lithiated with only one lithium atom displayed that compound H2 exhibited interesting redox potential and energy density for all the studied structures in free optimized state (1108.28 W h kg?1, 4.92 V vs Li/Li+), with EWG (648.22 W h kg?1, 3.313 V Li/Li+), and with EDG (1002.4 W h kg?1, 5.011 V vs Li/Li+). From our result, we can infer that compound H2 and H3 with corresponding redox potential, energy density and theoretical charge capacity value of 4.92 V vs Li/Li+, 1108.28 W h kg?1, 225.26 mA h g?1 and 5.168 V, 1041.61 W h kg?1, 201.55 mA h g?1 lithiated with only one lithium atom in free optimized state are the most suitable compounds to be employed as organic cathode material in lithium-ion batteries among all the investigated cyclohexanone derivatives. 相似文献
4.
This review overviews recent reports on the electroanalytical applications of boron-doped diamond (BDD) electrodes. Because BDD electrodes have excellent features for electroanalysis, such as wide potential window, low background current, electrochemical stability, and fouling resistance, they can be useful for sensitive and stable detection of various substances, including drugs, bio-related substances, metal ions, and organic pollutants. Many articles have reported high-sensitivity detection of real samples, demonstrating that this electrode material is practically applicable. Surface modification of the BDD electrodes using metal nanoparticles, nanocarbons, and polymers can increase the sensitivity of the electrochemical detection. Furthermore, research on the electroanalytical device equipped with BDD electrodes will be expanded by combining peripheral technologies related to the device fabrication. 相似文献
5.
A composite adsorbent, chitosan//poly (ε-caprolactone)-block poly (ethylene glycol)/SiO2 aerogel@polydopamine (CS/PCL-b-PEG/SA@PDA) membrane was prepared for the adsorption of organic dyes. The matrix polymer materials of this novel adsorbent were eco-friendly. SiO2 aerogel with nanoporous network construction was fixed in the multicomponent polymer fibers through simultaneous electrospinning-electrospray technology followed by modification of polydopamine (PDA). The composite adsorbent had a maximum adsorption capacity of 598.8 mg/g for Congo red (CR) and possessed good reusability performance. This adsorbent showed excellent performance for the selective adsorption of relatively large molecule CR dyes even under high concentration of small molecule methyl orange (MO) dyes or 1 M of salt solution. The adsorption mechanism indicated that the –NH2 and –OH groups in adsorbent could generate the stronger electrostatic attraction with the –SO3- groups in CR. Meanwhile, the sufficient adsorption spaces of the adsorbent were constructed by the porous network structure of SiO2 aerogel, the accumulation of PDA particles and the porous structure of the multicomponent composite membrane. The work provided a proactive study in designing an adsorbent for the selective adsorption of organic dyes. 相似文献
6.
The magnetic skyrmion transport driven by pure voltage-induced strain gradient is proposed and studied via micromagnetic simulation. Through combining the skyrmion with multiferroic heterojunction, a voltage-induced uniaxial strain gradient is adjusted to move skyrmions. In the system, a pair of short-circuited trapezoidal top electrodes can generate the symmetric strain. Due to the symmetry of strain, the magnetic skyrmion can be driven with a linear motion in the middle of the nanostrip without deviation. We calculate the strain distribution generated by the trapezoidal top electrodes pair, and further investigate the influence of the strain intensity as well as the strain gradient on the skyrmion velocity. Our findings provide a stable and low-energy regulation method for skyrmion transport. 相似文献
7.
本文以有机朗肯循环(ORC)跨临界与亚临界工质换热特性最新研究成果为基础,采用热力学指标热源回收效率,以及经济学中的净现值(NPV)概念,结合换热面积分析,建立了考虑实际换热情况的热力学及经济性模型,更合理、更全面地对亚临界循环与跨临界循环的热力学性能和经济性进行了统一分析,为工程实际中亚临界和跨临界的选择提供了参考。本文结果表明,当综合考虑换热器面积、NPV等经济性指标时,跨临界循环在单纯的热力学分析中所展现的高于亚临界的优势减少。针对工业余热,系统的优化区间覆盖跨临界与亚临界,为P/Pc=0.82~1.30,T3=103~147℃,其热源回收效率可达61%,经济效益较高,且对透平入口温度、压力的变化不敏感,能容纳一定的参数波动。对比使用不同换热关联式,使用专门针对有机工质发展的换热关联式计算得到的循环优化区间发生了改变,由此可见,开展对ORC工质的换热特性研究,发展更加准确的换热关联式是完善系统优化的重要途径。 相似文献
8.
二维范德瓦尔斯材料(可简称二维材料)已发展成为备受瞩目的材料大家族,而由其衍生的二维范德瓦尔斯异质结构的集成、性能及应用是现今凝聚态物理和材料科学领域的研究热点之一.二维范德瓦尔斯异质结构为探索丰富多彩的物理效应和新奇的物理现象,以及构建新型的自旋电子学器件提供了灵活而广阔的平台.本文从二维材料的转移技术着手,介绍二维范德瓦尔斯异质结构的构筑、性能及应用.首先,依据湿法转移和干法转移的分类,详细介绍二维范德瓦尔斯异质结构的制备技术,内容包括转移技术的通用设备、常用转移方法的具体操作步骤、三维操纵二维材料的方法、异质界面清洁.随后介绍二维范德瓦尔斯异质结构的性能和应用,重点介绍二维磁性范德瓦尔斯异质结构,并列举在二维范德瓦尔斯磁隧道结和摩尔超晶格领域的应用.因此,二维材料转移技术的发展和优化将进一步助力二维范德瓦尔斯异质结构在基础科学研究和实际应用上取得突破性的成果. 相似文献
9.
当今全球范围内有机食品行业发展迅速,体现出消费者对食品质量安全的重视。相比于普通鸡蛋,有机鸡蛋因严格的生产条件以及更高的营养价值生产成本更高、售价更贵。市面上所销售的有机鸡蛋虽取得了严格有机食品认证标识,但依旧不能阻止不法份子将普通鸡蛋冒充有机鸡蛋销售,从而谋取利润。这一行为不仅会损害有机鸡蛋生产商的利益,也降低了人们对有机食品的信任度,为此需要一种有效的对有机鸡蛋和普通鸡蛋无损鉴别方法。使用高光谱技术透射成像的方式,可以获取物质内部的信息,以有机鸡蛋和普通鸡蛋为试验对象,采集鸡蛋样本364~1 025 nm波长范围的高光谱图像数据,从采集到的数据中提取出鸡蛋蛋清和蛋黄感兴趣区域(ROI)的平均透射光谱数据。根据透射光谱曲线图筛选出有机鸡蛋与普通鸡蛋光谱响应差异明显的波段区间,分别通过偏最小二乘判别分析(PLS-DA)和支持向量机(SVM)建立鸡蛋类别的鉴别模型,结果表明模型分别根据蛋黄区域与蛋清区域数据进行建模的鉴别准确率相近,进一步对蛋黄区域数据进行分析。由于高光谱数据量大且存在大量冗余信息,给数据采集、存储、传输和建模处理都带来不便,因此分别通过连续投影算法(SPA)和竞争性自适应重加权算法(CARS)对蛋黄ROI数据进行降维处理,剔除了大量冗余信息后再建模。最终,使用对蛋黄ROI区域运用SPA降维后得到的23个特征波长建立的SPA-SVM鉴别模型在测试集的准确率最高达到94.2%。结果表明,通过高光谱技术对有机鸡蛋和普通鸡蛋进行无损鉴别有一定效果。 相似文献
10.
为了满足该标准物质的需求,进行了第二次尿酸血清标准物质的复制。针对复制的尿酸血清标准物质,基于单四极杆质谱的液相色谱-同位素稀释质谱法(LC-IDMS),用乙腈沉淀法去除蛋白质,BEH C18色谱柱和电喷雾离子源负离子模式(ESI^(-)),同位素稀释的单点校准法进行定值、均匀性检验、稳定性检验以及不确定度评定等研究。此定值方法经过CCQM-K109(血清中尿酸分析)国际关键比对进行验证。复制的2种不同浓度水平尿酸(肾病患者和正常人)血清标准物质的定值结果分别为(73.5±1.3)μg/g,(47.5±1.1)μg/g,其均匀性和稳定性评估结果良好。 相似文献