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951.
基于Discovery Studio软件高质量的分子三维结构可视化功能和分子对接模拟模块,设计了卡托普利与血管紧张素转化酶的分子对接实验,让学生通过分子对接模拟过程,掌握药物分子结构特征,理解构效关系特征,认识酶抑制剂和靶蛋白的作用机制,了解药物研究新手段。 相似文献
952.
Ultrathin Mn Doped Ni-MOF Nanosheet Array for Highly Capacitive and Stable Asymmetric Supercapacitor
Dengchao Zheng Hao Wen Xun Sun Xin Guan Jie Zhang Wenli Tian Hao Feng Dr. Hongjing Wang Prof. Yadong Yao 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(71):17149-17155
In this study, we demonstrate that an Mn-doped ultrathin Ni-MOF nanosheet array on nickel foam (Mn0.1-Ni-MOF/NF) serves as a highly capacitive and stable supercapacitor positive electrode. The Mn0.1-Ni-MOF/NF shows an areal capacity of 6.48 C cm−2 (specific capacity C: 1178 C g−1) at 2 mA cm−2 in 6.0 m KOH, outperforming most reported MOF-based materials. More importantly, it possesses excellent cycle stability to maintain 80.6 % capacity after 5000 cycles. An asymmetric supercapacitor device utilizing Mn0.1-Ni-MOF/NF as the positive electrode and activated carbon as the negative electrode attains a high energy density of 39.6 Wh kg−1 at 143.8 Wkg−1 power density with a capacitance retention of 83.6 % after 5000 cycles. 相似文献
953.
Jiao Jiajia Li Hao Lin Wen Wang Rui Meng Zihan Guo Weibin Zhao Shengqiu Li Junsheng Tang Haolin 《Journal of Solid State Electrochemistry》2020,24(3):771-779
Journal of Solid State Electrochemistry - Practical application of Li-S battery is limited by the fast capacity decay and low coulombic efficiency caused by the shuttling phenomenon. Modification... 相似文献
956.
Let X be a ball quasi-Banach function space satisfying some mild additional assumptions and the associated Hardy-type space. In this article, we first establish the finite atomic characterization of . As an application, we prove that the dual space of is the Campanato space associated with X. For any given and , using the atomic and the Littlewood–Paley function characterizations of ,we also establish its s-order intrinsic square function characterizations, respectively, in terms of the intrinsic Lusin-area function ,the intrinsic g-function ,and the intrinsic -function , where λ coincides with the best known range. 相似文献
957.
Long‐Zhang Dong Lei Zhang Jiang Liu Qing Huang Meng Lu Wen‐Xin Ji Ya‐Qian Lan 《Angewandte Chemie (International ed. in English)》2020,59(7):2659-2663
A series of stable heterometallic Fe2M cluster‐based MOFs ( NNU‐31‐M , M=Co, Ni, Zn) photocatalysts are presented. They can achieve the overall conversion of CO2 and H2O into HCOOH and O2 without the assistance of additional sacrificial agent and photosensitizer. The heterometallic cluster units and photosensitive ligands excited by visible light generate separated electrons and holes. Then, low‐valent metal M accepts electrons to reduce CO2, and high‐valent Fe uses holes to oxidize H2O. This is the first MOF photocatalyst system to finish artificial photosynthetic full reaction. It is noted that NNU‐31‐Zn exhibits the highest HCOOH yield of 26.3 μmol g?1 h?1 (selectivity of ca. 100 %). Furthermore, the DFT calculations based on crystal structures demonstrate the photocatalytic reaction mechanism. This work proposes a new strategy for how to design crystalline photocatalyst to realize artificial photosynthetic overall reaction. 相似文献
958.
959.
Bin‐Wen Liu Xiao‐Ming Jiang Bing‐Xuan Li Hui‐Yi Zeng Guo‐Cong Guo 《Angewandte Chemie (International ed. in English)》2020,59(12):4856-4859
A large nonlinear optical (NLO) coefficient and a wide band gap are two crucial but contradictory parameters that are difficult to achieve simultaneously in a single infrared (IR) NLO compound. A salt‐inclusion chalcogenide (SIC), Li[LiCs2Cl][Ga3S6] ( 1 ), was prepared that presents a nanosized tunnel framework constructed from monotype chalcogenide tetrahedra. Highly oriented covalent GaS4 tetrahedra in the host lead to a moderate second harmonic generation response (0.7 AgGaS2), and ionic guests effectively broaden the band gap to the widest value (4.18 eV) among all IR NLO chalcogenides, thereby achieving a remarkable balance between NLO efficiency and band gap. 相似文献
960.
Wenbin Wang Yutang Wang Ruoou Yang Qunlei Wen Youwen Liu Zheng Jiang Huiqiao Li Tianyou Zhai 《Angewandte Chemie (International ed. in English)》2020,59(39):16974-16981
Electrochemical synthesis based on electrons as reagents provides a broad prospect for commodity chemical manufacturing. A direct one‐step route for the electrooxidation of amino C?N bonds to nitrile C≡N bonds offers an alternative pathway for nitrile production. However, this route has not been fully explored with respect to either the chemical bond reforming process or the performance optimization. Proposed here is a model of vacancy‐rich Ni(OH)2 atomic layers for studying the performance relationship with respect to structure. Theoretical calculations show the vacancy‐induced local electropositive sites chemisorb the N atom with a lone pair of electrons and then attack the corresponding N(sp3)?H, thus accelerating amino C?N bond activation for dehydrogenation directly into the C≡N bond. Vacancy‐rich nanosheets exhibit up to 96.5 % propionitrile selectivity at a moderate potential of 1.38 V. These findings can lead to a new pathway for facilitating catalytic reactions in the chemicals industry. 相似文献