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排序方式: 共有1725条查询结果,搜索用时 10 毫秒
61.
Ting‐Ting Zhang Xiao‐Xia Qi Jianfeng Jia Hai‐Shun Wu 《International journal of quantum chemistry》2013,113(7):1010-1017
Quantum chemistry methods are applied to investigate the electronic structures, injection and transport properties, absorption and phosphorescence mechanism of a series of Iridium (III) complexes [Ir(C∧N)2(L)2]+ (L = 4‐pyCO2Et; C∧N = 2‐phenylpyridine, 1 ; 2‐(4‐tolyl)pyridine, 2 ; 2‐(4,6‐difluorophenyl)pyridimato, 3 ; benzoquinoline, 4 ), which may be used as emitters on organic light emitting diodes (OLEDs). Calculations of ionization potentials and electron affinities are used to evaluate the injection abilities of holes and electrons into these complexes. The reorganization energy (λ) calculations show that the four complexes are suitable as emitters in OLEDs. The absorptions and emissions can be tuned by adding substituent to the ppy ligand or extending the π‐conjugation effect of the C∧N ligand, and quantum yields of 1 – 4 are investigated. In addition, no solvent effect is observed in the absorption and emission spectra. © 2012 Wiley Periodicals, Inc. 相似文献
62.
Simulation of nuclide migration in a middle- and low-level radioactive waste repository based on GMS
Wang Litao Cheng Jianfeng Bao Chenyang Wang Yanhui Jiang Qiao Pan Yuelong Liu Yu Hong Tao Tuo Xianguo Leng Yangchun 《Journal of Radioanalytical and Nuclear Chemistry》2022,331(5):2159-2167
Journal of Radioanalytical and Nuclear Chemistry - Groundwater is the most important factor contributing to the diffusion and migration of radionuclides in the repository. In this paper, the... 相似文献
63.
Jianfeng Zhang Dr. Marco Wenzel Johannes Steup Gerrit Schaper Dr. Felix Hennersdorf Prof. Dr. Hao Du Prof. Dr. Shili Zheng Prof. Dr. Leonard F. Lindoy Prof. Dr. Jan J. Weigand 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(1):e202103640
Effective receptors for the separation of Li+ from a mixture with other alkali metal ions under mild conditions remains an important challenge that could benefit from new approaches. In this study, it is demonstrated that the 4-phosphoryl pyrazolones, H L 2-H L 4, in the presence of the typical industrial organophosphorus co-ligands tributylphosphine oxide (TBPO), tributylphosphate (TBP) and trioctylphosphine oxide (TOPO), are able to selectively recognise and extract lithium ions from aqueous solution. Structural investigations in solution as well as in the solid state reveal the existence of a series of multinuclear Li+ complexes that include dimers (TBPO, TBP) as well as rarely observed trimers (TOPO) and represent the first clear evidence for the synergistic role of the co-ligands in the extraction process. Our findings are supported by detailed NMR, MS and extraction studies. Liquid-liquid extraction in the presence of TOPO revealed an unprecedented high Li+ extraction efficiency (78 %) for H L 4 compared to the use of the industrially employed acylpyrazolone H L 1 (15 %) and benzoyl-1,1,1-trifluoroacetone (52 %) extractants. In addition, a high selectivity for Li+ over Na+, K+ and Cs+ under mild conditions (pH ∼8.2) confirms that H L 2-H L 4 represent a new class of ligands that are very effective extractants for use in lithium separation. 相似文献
64.
3d过渡金属修饰是改善石墨烯储氢性能的最有效途径, 但仍存在金属团聚和H2解离导致难以脱附的问题. 提出了B/N掺杂单缺陷石墨烯(BMG/NMG)的策略来避免以上两个问题. 密度泛函理论计算结果表明, N掺杂可以使Sc, Ti, V与石墨烯的结合能提高3~4倍, B掺杂可以将Sc与石墨烯的结合能提高3倍. Sc/BMG和Sc/NMG吸附的第一个H2不会解离. Sc/BMG中Sc吸附5个H2, 平均氢分子结合能为-0.18~-0.43 eV, 并且可以通过在同侧锚定多个Sc原子形成Sc/C3B2五元环增加H2吸附位点. Sc/NMG中每个Sc吸附6个H2, 平均氢分子结合能为-0.17~-0.29 eV, 还可以通过在异侧修饰形成Sc/N3/Sc单元进一步提高储氢能力. 研究结果将为设计基于3d过渡金属修饰碳材料的储氢材料提供理论基础. 相似文献
65.
Haihong Zhang Dejun Zeng Bo Wang Jianfeng Yang 《Journal of Sol-Gel Science and Technology》2014,69(2):311-319
The spinning precursor sols for the continuous mullite-based fibers were prepared by adding nano-silica to substitute part of silica sol. The effect of SiO2 nanoparticles on the particle evolution models, polymerization degree and solid content of the sol,and the spinning length and sintering behavior of the fibers was investigated. The results were shown that the addition of nano silica enhanced the polymerization degree and extended the spinnable range of the sol. The appropriate polymerization degree (B value) for this sol system was 1.885–2.145. The grain diameter decreased from 39.6 to 25.9 nm with increasing the nano-silica content to 20 %, and then, it increased to 41.2 nm with increasing the nano-silica content to 100 %. The appropriate content of nano-silica powders would reduce the grain diameter. However, it had no influence on the linear growth model, homogeneity and solid content of the precursor sol. 相似文献
66.
Wufeng Chen Dr. Haibin Song Dr. Jianfeng Li Prof. Dr. Chunming Cui 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(6):2385-2389
Hydrosilylation of alkynes generally yield vinylsilanes, which are inert to the further hydrosilylation because of the steric effects. Reported here is the first successful dihydrosilylation of aryl- and silyl-substituted internal alkynes enabled by a rare-earth ate complex to yield geminal bis- and tris(silanes), respectively. The lanthanum bis(amido) ate complex supported by an ene-diamido ligand proved to be the ideal catalyst for this unprecedented transformation, while the same series of yttrium and samarium alkyl and samarium bis(amido) ate complexes exhibited poor activity and selectivity, indicating significant effects of the ionic size and ate structure of the rare-earth catalysts. 相似文献
67.
Fei Lv Jianfeng Fan Jiarong Huang Liming Cao Xuesong Yan Ling Ge Saifudin Abubakar Yukun Chen 《先进技术聚合物》2020,31(10):2161-2171
As the most successful commercialized thermoplastic vulcanizates (TPVs), polypropylene (PP)/ethylene propylene rubber (EPDM) TPVs exhibit poor oil resistance. In this work, we prepared PP/EPDM/butadiene acrylonitrile rubber (NBR) ternary TPVs with good oil resistance using core‐shell dynamic vulcanization. According to the theoretical analysis of the spreading coefficient and the transmission electron microscopy results, the rubber phases exhibited a special core‐shell structure, in which the cross‐linkedNBR‐core was encapsulated by the EPDM‐shell. The core‐shell structure effectively improved the interfacial compatibility between PP and NBR phase as the EPDM‐shell could avoid the direct contact of them, thus improving the mechanical properties of the TPVs. For example, the PP/EPDM/NBR (40/30/30) ternary TPV showed enhanced tensile strength of 12.57 MPa, compared with 10.71 MPa of PP/EPDM (40/60) TPV and 11.11 MPa of PP/NBR (40/60) TPV, respectively. Moreover, the oil resistance of the TPVs was also improved. Compared with PP/EPDM TPV, the change rates in mass, volume, tensile strength and elongation at break of PP/EPDM/NBR TPV after oil immersion decreased by 42.18%, 48.69%, 52.68% and 28.77%, respectively. 相似文献
68.
Wufeng Chen Haibin Song Jianfeng Li Chunming Cui 《Angewandte Chemie (International ed. in English)》2020,59(6):2365-2369
Hydrosilylation of alkynes generally yield vinylsilanes, which are inert to the further hydrosilylation because of the steric effects. Reported here is the first successful dihydrosilylation of aryl‐ and silyl‐substituted internal alkynes enabled by a rare‐earth ate complex to yield geminal bis‐ and tris(silanes), respectively. The lanthanum bis(amido) ate complex supported by an ene‐diamido ligand proved to be the ideal catalyst for this unprecedented transformation, while the same series of yttrium and samarium alkyl and samarium bis(amido) ate complexes exhibited poor activity and selectivity, indicating significant effects of the ionic size and ate structure of the rare‐earth catalysts. 相似文献
69.
70.