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31.
本文以 Cr3 +自由离子的 3 d电子径向波函数为基础 ,对 Cr3 +∶Al2 O3 中的电子云延伸效应进行了理论研究 ,引入了电子云延伸效应系数 κ,得到了 Cr3 +∶Al2 O3 中 Cr3 +离子的最优化 3 d电子径向波函数 .并研究了压力对电子云延伸效应系数κ的影响 相似文献
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Through the complete analysis of the solution for one dimensional bilayer membranes, it has been shown that under the Helfrich spontaneous curvature model, periodic shapes only exist in the case of \bar{Δp}=0. The undulation modes under force balance which correspond to positive, negative and zero tensile stresses have been given. 相似文献
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Zhang Menghua Zhang Yongfeng Ouyang Huimin Ma Changhui Cheng Xingong 《Nonlinear dynamics》2020,99(4):2727-2741
Nonlinear Dynamics - An adaptive integral sliding mode control (AISMC) method with payload sway reduction is presented for 4-DOF tower cranes in this paper. The designed controller consists of... 相似文献
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Nonlinear Dynamics - The friction-induced vibration of a novel 5-DoF (degree-of-freedom) mass-on-oscillating-belt model considering multiple types of nonlinearities is studied. The first type of... 相似文献
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Dr. Ting Ouyang Sheng Huang Xiao-Tong Wang Prof. Zhao-Qing Liu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(62):14024-14035
One of the most effective ways to cope with the problems of global warming and the energy shortage crisis is to develop renewable and clean energy sources. To achieve a carbon-neutral energy cycle, advanced carbon sequestration technologies are urgently needed, but because CO2 is a thermodynamically stable molecule with the highest carbon valence state of +4, this process faces many challenges. In recent years, electrochemical CO2 reduction has become a promising approach to fix and convert CO2 into high-value-added fuels and chemical feedstock. However, the large-scale commercial use of electrochemical CO2 reduction systems is hindered by poor electrocatalyst activity, large overpotential, low energy conversion efficiency, and product selectivity in reducing CO2. Therefore, there is an urgent need to rationally design highly efficient, stable, and scalable electrocatalysts to alleviate these problems. This minireview also aims to classify heterogeneous nanostructured electrocatalysts for the CO2 reduction reaction (CDRR). 相似文献
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Pressure dependences of elastic and lattice dynamic properties of AlAs from ab initio calculations 下载免费PDF全文
Ab initio calculations, based on norm-conserving nonlocal pseudopotentials and density functional theory (DFT), are performed to investigate the structural, elastic, dielectric, and vibrational properties of aluminum arsenide AlAs with zinc-blende (B3) structure and nickel arsenide (B81) structure under hydrostatic pressure. Firstly, the path for the phase transition from B3 to B81 is confirmed by analyzing the energies of different structures, which is in good agreement with previous theoretical results. Secondly, we find that the elastic constants, bulk modulus, static dielectric constants, and the optical phonon frequencies are varying in a nearly linear manner under hydrostatic pressure. What is more, the softening mode of transversal acoustic mode at X point supports the phase transition in AlAs. 相似文献
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The pressure dependences of elastic and lattice dynamic properties of AlAs from ab initio calculations 下载免费PDF全文
Ab initio calculations,based on norm-conserving nonlocal pseudopotentials and density functional theory(DFT),are performed to investigate the structural,elastic,dielectric,and vibrational properties of aluminum arsenide(AlAs) with a zinc-blende(B3) structure and a nickel arsenide(B81) structure under hydrostatic pressure.Firstly,the path for the phase transition from B3 to B81 is confirmed by analyzing the energies of different structures,which is in good agreement with previous theoretical results.Secondly,we find that the elastic constants,bulk modulus,static dielectric constants,and the optical phonon frequencies vary in a nearly linear manner under hydrostatic pressure.What is more,the softening mode of the transversal acoustic mode at the X point supports the phase transition in AlAs. 相似文献