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81.
82.
Comparative study on transport properties of N-, P-, and As-doped SiC nanowires: Calculated based on first principles 下载免费PDF全文
According to the one-dimensional quantum state distribution, carrier scattering, and fixed range hopping model, the structural stability and electron transport properties of N-, P-, and As-doped SiC nanowires(N-SiCNWs, P-SiCNWs, and As-SiCNWs) are simulated by using the first principles calculations. The results show that the lattice structure of NSiCNWs is the most stable in the lattice structures of the above three kinds of doped SiCNWs. At room temperature,for unpassivated SiCNWs, the doping effect of P and As are better than that of N. After passivation, the conductivities of all doped SiCNWs increase by approximately two orders of magnitude. The N-SiCNW has the lowest conductivity. In addition, the N-, P-, As-doped SiCNWs before and after passivation have the same conductivity–temperature characteristics,that is, above room temperature, the conductivity values of the doped SiCNWs all increase with temperature increasing.These results contribute to the electronic application of nanodevices. 相似文献
83.
DFT mechanistic study of the H2‐assisted chain transfer copolymerization of propylene and p‐methylstyrene catalyzed by zirconocene complex 下载免费PDF全文
Cheng‐Gen Zhang Shu‐Yuan Yu Liaoyun Zhang Huayi Li Zhi‐Xiang Wang 《Journal of polymer science. Part A, Polymer chemistry》2015,53(4):576-585
DFT computations have been performed to investigate the mechanism of H2‐assisted chain transfer strategy to functionalize polypropylene via Zr‐catalyzed copolymerization of propylene and p‐methylstyrene (pMS). The study unveils the following: (i) propylene prefers 1,2‐insertion over 2,1‐insertion both kinetically and thermodynamically, explaining the observed 1,2‐insertion regioselectivity for propylene insertion. (ii) The 2,1‐inserion of pMS is kinetically less favorable but thermodynamically more favorable than 1,2‐insertion. The observation of 2,1‐insertion pMS at the end of polymer chain is due to thermodynamic control and that the barrier difference between the two insertion modes become smaller as the chain length becomes longer. (iii) The pMS insertion results in much higher barriers for subsequent either propylene or pMS insertion, which causes deactivation of the catalytic system. (iv) Small H2 can react with the deactivated [Zr]?pMS?PPn facilely, which displace functionalized pMS?PPn chain and regenerate [Zr]? H active catalyst to continue copolymerization. The effects of counterions are also discussed. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015 , 53, 576–585 相似文献
84.
Ivanov Yu. F. Lopatin I. V. Petrikova E. A. Rygina M. E. Tolkachev O. S. Shimanskii V. I. 《Russian Physics Journal》2020,62(11):2106-2111
Russian Physics Journal - The paper presents the results of modification of the silumin surface layer using a multicycle processing technique which combines the formation of the film... 相似文献
85.
86.
高能重带电粒子能直接穿透靶原子核外电子层,与原子核发生直接碰撞,发生散裂反应,产生一系列具有放射性的剩余产物核.重带电粒子诱发靶材放射性剩余核与辐射防护和人员安全有着密切联系,当前,大部分剩余核产额主要依靠蒙特卡罗粒子输运程序进行模拟计算,其准确程度亟需通过实验测量进行准确评估.本文利用能量为80.5 MeV/u的(12)^C6+粒子对薄铜靶开展了辐照实验与伽玛射线测量,结合伽玛谱学分析方法,得出了辐照产生的18种放射性剩余产物的初始活度和产生截面值,并与PHITS模拟结果进行对比.结果表明,PHITS模拟程序对放射性剩余核种类的估计具有较高可靠性,在其绝对产额方面,与实验测量仍具有较大偏差. 相似文献
87.
Yablokov M. Yu. Shchegolikhin A. N. Lebedev O. V. Goncharuk G. P. Ozerin A. N. 《Russian Chemical Bulletin》2021,70(9):1816-1821
Russian Chemical Bulletin - Gradient polymer composites were prepared by melt-mixing of carbon black and polypropylene in a compounder and subsequent hot pressing of pellets. The thermally treated... 相似文献
88.
Drichko I. L. Smirnov I. Yu. Bakarov A. K. Bykov A. A. Dmitriev A. A. Galperin Yu. M. 《JETP Letters》2020,112(1):45-52
JETP Letters - The DC and AC conductivities of the n-GaAs/AlAs heterostructure with two filled size quantization levels are studied within a wide magnetic field range. The electron spectrum of such... 相似文献
89.
Kuntsevich A. Yu. Rybal’chenko G. V. Martovitskii V. P. Bannikov M. I. Selivanov Yu. G. Gavrilkin S. Yu. Tsvetkov A. Yu. Chizhevskii E. G. 《JETP Letters》2020,111(3):151-156
JETP Letters - A structural reason for superconductivity in a Cu-, Sr-, or Nb-atom-doped Bi2Se3 topological insulator is still unclear. To understand this reason, a codoping approach has been... 相似文献
90.
Turyanskiy A. G. Vorob’ev N. S. Gizha S. S. Makushina V. A. Mikhal’kov Yu. M. Smirnov A. V. Pirshin I. V. Senkov V. M. Shashkov E. V. Fishman R. I. Ziyatdinova M. Z. Komel’kov A. S. 《JETP Letters》2020,112(11):734-738
JETP Letters - The possibility of stable generation of intense characteristic Cs radiation upon electronic excitation of a Mo anode target heat treated in Cs and O2 vapors is demonstrated. The... 相似文献