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1.
Giang Truong Nguyen Prof. Dr. Liviu Ungur 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(30):e202200227
Employing radical bridges between anisotropic metal ions has been a viable route to achieve high-performance single-molecule magnets (SMMs). While the bridges have been mainly considered for their ability to promote exchange interactions, the crystal-field effect arising from them has not been taken into account explicitly. This lack of consideration may distort the understanding and limit the development of the entire family. To shed light on this aspect, herein we report a theoretical investigation of a series of N -radical-bridged diterbium complexes. It is found that while promoting strong exchange coupling between the terbium ions, the N -radical induces a crystal field that interferes destructively with that of the outer ligands, and thus reduces the overall SMM behavior. Based on the theoretical results, we conclude that the SMM behavior in this series could be further maximized if the crystal field of the outer ligands is designed to be collinear with that of the radical bridge. This conclusion can be generalized to all exchange-coupled SMMs. 相似文献
2.
提出用溶胶粒子表面修饰方法,结合溶胶凝胶技术制备无机催化膜.该方法的基本原理是利用合适的金属配合物在胶粒表面的吸附作用,经溶胶凝胶过程,将活性组分结合到无机膜中.实验测定结果表明:(NiEDTA)2-,VO-3,MoO2-4,(Pd(NH3)4)2+,PdCl2-4,PtCl2-6和RhCl3-6可用来修饰AlOOH溶胶.以Pd/γAl2O3催化膜的制备为例,经三次溶胶凝胶过程,可制得无裂缺的厚度为9μm的Pd/γAl2O3催化膜,膜材料的平均孔直径为6nm,Pd被均匀地分布在膜的顶层,其平均粒径为23nm. 相似文献
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甲基紫掺杂聚乙烯醇薄膜材料在两束相干光照射下生成相位光栅.当改变一束相干光光程,通过监测相位光栅的一级衍射信号强度的变化,可以检测相位光栅的生长和擦除过程.在此实验基础上,讨论了甲基紫掺杂聚乙烯醇薄膜材料多重全息存储的原理与结果. 相似文献
4.
The drawbacks of our earlier report of preparing fuel cell catalyst arrays by borohydride reduction of inkjet prepared arrays of metal salts are discussed along with the need for inclusion of state-of-the-art metrics in all array screening. An alternative method for screening of hydrogen/air cathode catalysts, direct methanol fuel cell (DMFC) anode catalysts, and catalyst loading studies is provided. State-of-the-art Johnson Matthey catalysts were used in control experiments to demonstrate the utility of the array fuel cell for high throughput screening of fuel cell catalysts in the 3-4 mg/cm2 range. This report lays out hard learned rules for high throughput screening and demonstrates that the array fuel cell can be used for very precise screening of libraries of membrane electrode assembly (MEA) components without the pitfalls discussed in the introduction. 相似文献
5.
沈有根 《中国科学A辑(英文版)》2002,45(3):400-408
Using the membrane model which is based on brick wall model, we calculated the free energy and entropy of Garfinkle-Horne dilatonic black hole due to arbitrary spin fields. The result shows that the entropy of scalar field and the entropy of Fermionic field have similar formulas. There is only a coefficient between them. 相似文献
6.
Xinjiang Chen Goh Matsuo Bunsho Ohtani Kaoru Tsujii 《Journal of polymer science. Part A, Polymer chemistry》2007,45(21):4891-4900
A racemic amphiphilic monomer, n‐dodecyl glyceryl itaconate (DGI), forms bilayer membranes in water in the presence of small amount of ionic cosurfactant and shows iridescent color. A chiral DGI, S‐DGI, also shows an iridescent property, but with a rather red shift in the color, which can be ascribed to the increased packing density of the monomer in the bilayer membranes. Chrial DGI has a more compact packing density than racemic one owing to closer distance between the monomer molecules; the conversion rate, however, is slower than that of racemic one when H2O2 is used as an initiator. When the initiator is changed to an amphiphilic one, 4‐(2‐hydroxyethoxy) phenyl‐(2‐hydroxy‐2‐propyl) ketone (Irgacure 2959), the chiral DGI shows even a little faster conversion rate than that of racemic one. The NMR chemical shift results of protons in benzene ring show that the molecules of Irgacure 2959 insert into the bilayer membranes. The molecular weights of the corresponding polymers prove that the initiation by H2O2 is restricted compared to that by Irgacure 2959. It is concluded that the decelerated polymerization behavior of chiral DGI initiated by H2O2 is a result of limited diffusion of the initiator into the lamellar bilayer structures. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 4891–4900, 2007 相似文献
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A parallel DSMC method based on a cell‐based data structure is developed for the efficient simulation of rarefied gas flows on PC‐clusters. Parallel computation is made by decomposing the computational domain into several subdomains. Dynamic load balancing between processors is achieved based on the number of simulation particles and the number of cells allocated in each subdomain. Adjustment of cell size is also made through mesh adaptation for the improvement of solution accuracy and the efficient usage of meshes. Applications were made for a two‐dimensional supersonic leading‐edge flow, the axi‐symmetric Rothe's nozzle, and the open hollow cylinder flare flow for validation. It was found that the present method is an efficient tool for the simulation of rarefied gas flows on PC‐based parallel machines. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献