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91.
92.
Yunjie Huang Yaqi Bao Tieqi Huang Chengzhi Hu Haiou Qiu Hongtao Liu 《Molecules (Basel, Switzerland)》2023,28(1)
Molybdenum carbide is considered to be one of the most competitive catalysts for hydrogen evolution reaction (HER) regarding its high catalytic activity and superior corrosion resistance. But the low electrical conductivity and poor interfacial contact with the current collector greatly inhibit its practical application capability. Herein, carbon nanotube (CNT) supported molybdenum carbide was assembled via electrostatic adsorption combined with complex bonding. The N-doped molybdenum carbide nanocrystals were uniformly anchored on the surfaces of amino CNTs, which depressed the agglomeration of nanoparticles while strengthening the migration of electrons. The optimized catalyst (250-800-2h) showed exceptional electrocatalytic performance towards HER under both acidic and alkaline conditions. Especially in 0.5 M H2SO4 solution, the 250-800-2h catalyst exhibited a low overpotential of 136 mV at a current density of 10 mA/cm2 (η10) with the Tafel slope of 49.9 mV dec−1, and the overpotential only increased 8 mV after 20,000 cycles of stability test. The active corrosive experiment revealed that more exposure to high-activity γ-Mo2N promoted the specific mass activity of Mo, thus, maintaining the catalytic durability of the catalyst. 相似文献
93.
Madhusudhan Reddy Gadi Congcong Chen Shumin Bao Shuaishuai Wang Yuxi Guo Jinghua Han Weidong Xiao Lei Li 《Chemical science》2023,14(7):1837
All O-GalNAc glycans are derived from 8 cores with 2 or 3 monosaccharides linked via α- or β-glycosidic bonds. While chemical and chemoenzymatic syntheses of β-linked cores 1–4 and 6 and derived glycans have been well developed, the preparation of α-linked rare cores 5, 7, and 8 is challenging due to the presence of this 1,2-cis linkage. Meanwhile, the biosynthesis and functional roles of these structures are poorly understood. Herein, we synthesize 3 α-linked rare cores with exclusive α-configuration from a versatile precursor through multifaceted chemical modulations. Efficient regioselective α2-6sialylion of the rare cores was then achieved by Photobacterium damselae α2-6sialyltransferase-catalyzed reactions. These structures, together with β-linked cores 1–4 and 6, and their sialylated forms, were fabricated into a comprehensive O-GalNAc core microarray to profile the binding of clinically important GalNAc-specific lectins. It is found that only Tn, (sialyl-)core 5, and core 7 are the binders of WFL, VVL, and SBA, while DBA only recognized (sialyl-)core 5, and Jacalin is the only lectin that binds core 8. In addition, activity assays of human α-N-acetylgalactosaminide α2-6sialyltransferases (ST6GalNAcTs) towards the cores suggested that ST6GalNAc1 may be involved in the biosynthesis of previously identified sialyl-core 5 and sialyl-core 8 glycans. In conclusion, we provide efficient routes to access α-linked O-GalNAc rare cores and derived structures, which are valuable tools for functional glycomics studies of mucin O-glycans.Mucin rare cores 5, 7, and 8 with 1,2-cis glycosidic bonds were prepared with exclusive stereo-selectivity from a versatile precursor. Enzyme-catalyzed regio-selective sialylation was then achieved, yielding natural sialylated rare cores. 相似文献
94.
Xiang-Yu Zhang Zi-Qi Zhou Wen-Xiu Bao Hong-Xin Tang Rui-Biao Fu Zu-Ju Ma Xin-Tao Wu 《Chemical science》2022,14(1):136
Nonlinear optical (NLO) crystals featuring a strong second-harmonic generation (SHG) response and suitable birefringence to achieve phase-matching are in urgent demand in industrial and commercial applications. Based on the substitution strategy, two new NLO lead-iodide formates, K2[PbI2(HCOO)2] and Rb2[PbI2(HCOO)2], have been successfully synthesized using a moderate mixed-solvothermal method. K2[PbI2(HCOO)2] and Rb2[PbI2(HCOO)2] exhibit strong phase-matching SHG responses of 8 and 6.8 × KDP, respectively, a suitable birefringence and transparent window covering most of the visible light and mid-IR region. Crystal structures and theoretical calculations unveil that the origins of the strong SHG response and suitable birefringence can be credibly attributed to the oriented arrangement of the highly distorted [PbI2O4] hexa-coordinated polyhedra, which are consistent in their local dipole moments, as well. This research provides a new strategy to explore high-performance NLO crystals.K2[PbI2(HCOO)2] and Rb2[PbI2(HCOO)2] with highly distorted [PbI2O4] polyhedra in an oriented arrangement exhibit a very strong phase-matching SHG response, suitable birefringence, wide transparent windows and good thermal stability. 相似文献
95.
设计了用于Z箍缩丝阵实验的重频LTD驱动器, 含6路并联模组, 每组由8个0.8 MA原型模块串联组成, 全真空结构。原型模块采用全新的单路触发和电感隔离技术, 触发难度和重频运行可靠性得到显著优化。利用电路模拟程序对驱动器进行了仿真计算, 结果表明:在初始半径1.2 cm、线质量1 mg/cm的Z箍缩负载上, 驱动器的输出电流峰值可到5.2 MA, 前沿91 ns;负载内爆最大动能78 kJ, 从电容储能至负载动能的转化效率为11.7%。该驱动器预期将获得高达20%~30%的辐射能量效率, 可为Z箍缩物理研究提供高效的实验平台。 相似文献
96.
通过搭建脉冲成形网络放电模块和光谱测试系统,利用Andor SR750光谱仪测量了铜丝电爆炸等离子体在400~500nm范围内的发射光谱。根据热力学平衡理论,采用双谱线相对强度法计算了等离子体的激发温度,并研究了激发温度随时间变化的特性。研究结果表明,铜丝电爆炸产生的稳态等离子体的激发温度约为5 400K。在脉冲放电前期,激发温度变化较大;在放电后期,激发温度较稳定;整个脉冲时间内激发温度差约达800K。
相似文献97.
Chen Zhou Matthew R. Hermes Dihua Wu Jie J. Bao Riddhish Pandharkar Daniel S. King Dayou Zhang Thais R. Scott Aleksandr O. Lykhin Laura Gagliardi Donald G. Truhlar 《Chemical science》2022,13(26):7685
Strong electron correlation plays an important role in transition-metal and heavy-metal chemistry, magnetic molecules, bond breaking, biradicals, excited states, and many functional materials, but it provides a significant challenge for modern electronic structure theory. The treatment of strongly correlated systems usually requires a multireference method to adequately describe spin densities and near-degeneracy correlation. However, quantitative computation of dynamic correlation with multireference wave functions is often difficult or impractical. Multiconfiguration pair-density functional theory (MC-PDFT) provides a way to blend multiconfiguration wave function theory and density functional theory to quantitatively treat both near-degeneracy correlation and dynamic correlation in strongly correlated systems; it is more affordable than multireference perturbation theory, multireference configuration interaction, or multireference coupled cluster theory and more accurate for many properties than Kohn–Sham density functional theory. This perspective article provides a brief introduction to strongly correlated systems and previously reviewed progress on MC-PDFT followed by a discussion of several recent developments and applications of MC-PDFT and related methods, including localized-active-space MC-PDFT, generalized active-space MC-PDFT, density-matrix-renormalization-group MC-PDFT, hybrid MC-PDFT, multistate MC-PDFT, spin–orbit coupling, analytic gradients, and dipole moments. We also review the more recently introduced multiconfiguration nonclassical-energy functional theory (MC-NEFT), which is like MC-PDFT but allows for other ingredients in the nonclassical-energy functional. We discuss two new kinds of MC-NEFT methods, namely multiconfiguration density coherence functional theory and machine-learned functionals.This feature article overviews recent work on active spaces, matrix product reference states, treatment of quasidegeneracy, hybrid theory, density-coherence functionals, machine-learned functionals, spin–orbit coupling, gradients, and dipole moments. 相似文献
98.
Guangda Chen Yangyang Xu Lei Huang Aboulkader Ibro Douka Bao Yu Xia 《Journal of Energy Chemistry》2021,(4):183-189
Developing robust oxygen electrocatalyst with high-performance is very significant for practical rechargeable Zn-air battery.We report herein the preparation of three-dimensional continuous nanocarbon network composed of interconnected nitrogen-doped carbon nanotubes and its application as oxygen electrocatalysis in rechargeable Zn-air battery.Except the excellent electrochemical bifunctionality,this carbon nanotube matrix also delivers an impressive battery performance.Specifically,an opencircuit voltage of 1.50 V as well as a high power density of 220 m W cm-2 with remarkable cycling stability for 1600 h is achieved in the rechargeable Zn-air battery.The study not only provides an efficient bifunctional oxygen electrocatalyst but more importantly may pave significant concepts in designing robust electrode for long-life rechargeable Zn-air battery and other energy technologies. 相似文献
99.
利用光栅最小偏向角法测光波波长 总被引:1,自引:0,他引:1
本文导出斜入射时,光栅谱线存在最小偏向角的条件及最小偏向角与波长间的关系,据此精确测定了光波波长,并在实验中通过与垂直入射法的比较显出其优越性。 相似文献
100.