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1.
Zhihong Zhao Bin Wang Rui Tan Wenjing Liu Minghui Zhang 《Magnetic resonance in chemistry : MRC》2022,60(4):427-433
In this study, the transverse relaxation time (T2) of activated carbon (AC) in different relative environment humidity was detected firstly by low-field nuclear magnetic resonance (LFNMR). The pore size (diameter) of AC distributions was calculated by the relationship between T2 and surface relaxation rate (ρ), where ρ was obtained by the detection of nine porous materials with known pore size. The results showed that the pore size distributions of AC calculated by ρ < 0.19 nm/ms were in good agreement with that obtained by nitrogen adsorption method and proved that LFNMR as a new detection method was feasible for characterizing AC pore size distribution. 相似文献
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3.
Dr. Zaifa Shi Dr. Yihuang Jiang Dr. Jingxiong Yu Prof. Shanjun Chen Prof. Jun Chen Prof. Zichao Tang Prof. Lansun Zheng 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(8):e202103546
At present, the reactivity of cyclic alkanes is estimated by comparison with acyclic hydrocarbons. Due to the difference in the structure of cycloalkanes and acycloalkanes, the thermodynamic data obtained by analogy are not applicable. In this study, a molecular beam sampling vacuum ultraviolet photoionization time-of-flight mass spectrometer (MB-VUV-PI-TOFMS) was applied to study the low-temperature oxidation of cyclopentane (CPT) at a total pressure range from 1–3 atm and low-temperature range between 500 and 800 K. Low-temperature reaction products including cyclic olefins, cyclic ethers, and highly oxygenated intermediates (e. g., ketohydroperoxide KHP, keto-dihydroperoxide KDHP, olefinic hydroperoxides OHP and ketone structure products) were observed. Further investigation of the oxidation of CPT – electronic structure calculations – were carried out at the UCCSD(T)-F12a/aug-cc-pVDZ//B3LYP/6-31+ G(d,p) level to explore the reactivity of O2 molecules adding sequentially to cyclopentyl radicals. Experimental and theoretical observations showed that the dominant product channel in the reaction of CPT radicals with O2 is HO2 elimination yielding cyclopentene. The pathways of second and third O2 addition – the dissociation of hydroperoxide – were further confirmed. The results of this study will develop the low-temperature oxidation mechanism of CPT, which can be used for future research on accurately simulating the combustion process of CPT. 相似文献
4.
Tian Jie Yang Weifeng Chen Min Zheng Minfang Chen Ding Qiu Yusheng 《Journal of Radioanalytical and Nuclear Chemistry》2022,331(2):1039-1049
Journal of Radioanalytical and Nuclear Chemistry - This study presents a time-efficient method of analysing 210Pb, 210Bi, and 210Po in natural waters. The optimum pH (1.00), temperature... 相似文献
6.
Hao Lu Xiaodong Wang Hang Wang Andong Zhang Xinming Zheng Na Yu Zheng Tang Xinjun Xu Yahui Liu Ya-Nan Chen Zhishan Bo 《中国科学:化学(英文版)》2022,65(3):594-601
Three nonfused ring electron acceptors (NFREAs) TTC6,TT-C8T and TT-TC8 were purposefully designed and synthesized.The molecular geometry can be adjusted by the steric hindrance of lateral substituents.According to the DFT calculations,from TTC6 to TT-C8T and TT-TC8,planarity of the molecular backbone is gradually improved,accompanying with the enhancing of intramolecular charge transfer effect.As for TT-TC8,the two phenyl substituents are almost perpendicular to the molecular backbone,which endues the acceptor with good solubility and suppresses it to form over-aggregation.Multidirectional regular molecular orientation and closer molecular stacking are formed in TT-TC8 film.As a result,TT-TC8 based devices afford the highest PCE of 13.13%,which is much higher than that of TTC6 (4.41%) and TT-C8T (10.42%) and among the highest PCE values based on NFREAs. 相似文献
7.
Nonlinear Dynamics - The classical Kuramoto model serves as a useful tool for studying synchronization transitions in coupled oscillators that is limited to the sinusoidal and pairwise... 相似文献
8.
硒是动植物及人体生长必需的十五种微量元素之一,具有清除体内自由基、抗氧化、增强免疫力等功能,但其安全剂量的范围却很窄。利用扫描电子显微镜(SEM)和X射线衍射仪(XRD)对湿法球磨制备的硫铁矿形貌进行了表征。SEM观测发现加乙醇助磨后的硫铁矿为粒径大小较均匀的球形颗粒团聚体,粒径范围在17~200 nm之间,平均粒径138 nm。XRD衍射图谱中的特征峰与FeS2衍射图谱中各峰位置基本一致,因此判定硫铁矿中主要化学组分为FeS2,且图谱中基本没有杂峰,表明制备过程中并未混入杂质,样品纯度较高。实验结果表明,该法制备的硫铁矿具有颗粒粒径小、比表面积大、反应活性高等优点。研究中利用X射线光电子能谱仪(XPS)对硫铁矿去除水体中SeO2-3的机理进行了研究。研究结果表明, (1)在较为广泛的实验pH范围(pH 2.2~11.5),硫铁矿均能有效去除水体中SeO2-3,去除效率(除pH值7.8以外)均达到90%以上;(2)硫铁矿与SeO2-3发生反应后,其主要组成元素的XPS特征峰结合能有所减小,表明硫铁矿表面发生了一定化学变化;(3)酸碱环境下硫铁矿去除SeO2-3的机理不完全相同,酸性环境下,硫铁矿对SeO2-3的去除是单纯的氧化还原过程,即硫铁矿中被酸活化的S2-2将SeO2-3还原为单质Se(0),并且酸性越强,SeO2-3去除效果越好;碱性环境下,SeO2-3的去除过程中氧化还原与络合反应并存,硫铁矿表面有络合态Fe(OH)SeO3和单质Se(0)两种存在形态,且碱性越强,络合态Fe(OH)SeO3含量越高。以上研究结果为硫铁矿去除固定水体和土壤中以SeO2-3为代表的可变价金属阴离子提供重要理论依据和应用基础。 相似文献
9.
Journal of Optimization Theory and Applications - We distinguish two kinds of piecewise linear functions and provide an interesting representation for a piecewise linear function between two normed... 相似文献
10.
Dr. Ruijuan Yao Prof. Di Liu Dr. Huihui Wan Dr. Yongqiang Mei Jiahui Wang Dr. Rui Cai Dr. Huimin Zhang Dr. Yuzhen Zhao Dr. Zemin He 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(71):e202202269
By linking the carbazole unit to the nitrogen atom of acridone through phenyl or pyridyl, two compounds, named 10-(4-(9H-carbazol-9-yl)phenyl)acridin-9(10H)-one (AC-Ph-Cz) and 10-(5-(9H-carbazol-9-yl)pyridin-2-yl)acridin-9(10H)-one (AC-Py-Cz) were designed and synthesized. These two materials, characterized with highly twisted and rigid structure, good thermal stability, and balanced carrier-transporting properties, were employed as host materials for green phosphorescent and thermally activated delayed fluorescent organic light-emitting diodes (OLEDs). The carbazole group, despite its small contribution to the highest occupied molecular orbitals (HOMOs) of these two materials, plays an essential role as an intramolecular host in energy delivering and improving the hole transporting ability of these two hosts. The incorporation of the electron-deficient pyridyl group as a linking group slightly improves the electron transporting capability of AC-Py-Cz. The green phosphorescent OLED (PhOLED) based on AC-Py-Cz exhibited excellent device performance with a turn-on voltage of 2.5 V, a maximum power efficiency and an external quantum efficiency (ηext) of 89.8 lm W−1 and 25.2 %, respectively, benefitting from the better charge-balancing ability of AC-Py-Cz host due to the presence of the pyridyl bridge. More importantly, all the devices based on these two hosts showed low efficiency roll-off at high brightness due to the suppressed non-radiative transition in the emitting layer. In particular, the AC-Py-Cz-hosted green PhOLED exhibited an efficiency roll-off of 1.6 % from the maximum next at a high brightness of 1000 cd m−2 and a roll-off of 15.9 % at an extremely high brightness of 10000 cd m−2. This study manifests that acridone-based host materials have great potential in fabricating OLEDs with low efficiency roll-off. 相似文献