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二茚基二芳氧基锆催化乙烯齐聚 总被引:1,自引:0,他引:1
直链低碳α 烯烃是生产线性低密度聚乙烯 (LLDPE)和高密度聚乙烯 (HDPE)的共聚单体 .Kaminsky型催化剂是 80年代发展起来的烯烃高效聚合催化剂[1].近年来亦有文献报道该类催化剂催化乙烯齐聚合成低碳α 烯烃[2~ 5].而以茚基锆化合物与氯化烷基铝所组成的催化体系催化乙烯齐聚还未见文献报道 .本文考查了茚基锆化合物和一氯二乙基铝所组成的二元催化体系对乙烯齐聚的催化性能 ,合成了Ind2 Zr(OC6 H4 p Me) 2 、Ind2 Zr(OC6 H5) 2 、Ind2 ZrCl2 和Cp2 Zr(OC6 H4 p Me) 2 4个化合物 ,… 相似文献
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采用基于密度泛函理论的第一性原理赝势法对Ag-N共掺杂ZnO体 系以及间隙N和间隙H掺杂p型ZnO: (Ag, N)体系的缺陷形成能和离化能进行了研究. 结果表明, 在AgZn和NO所形成的众多受主复合体中, AgZn-NO受主对不仅具有较低的缺陷形成能同时其离化能也相对较小, 因此, AgZn-NO受主对的形成是Ag-N共掺ZnO体系实现p型导电的主要原因. 研究发现, 当ZnO: (Ag, N)体系有额外间隙N原子存在时, AgZn-NO受主对容易与Ni形成AgZn-(N2)m O施主型缺陷, 该施主缺陷的形成降低了Ag-N共掺ZnO的掺杂效率因而不利于p型导电. 当间隙H引入到ZnO: (Ag, N)体系时, Hi易与AgZn-NO受主对形成 受主-施主-受主复合结构(AgZn-Hi-NO), 此复合体的形成不仅提高了AgZn-NO受主对在ZnO中的固溶度, 同时还能使其受主能级变得更浅而有利于p型导电. 因此, H辅助Ag-N共掺ZnO可能是一种有效的p型掺杂手段.
关键词:
p型ZnO
缺陷形成能
受主离化能
第一性原理 相似文献
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Based on the analysis and the discussion of the influence of thermal ionization energy and various scatterings on magnetoresistance(MR) of p-type diamond films, a revised model of valence band split-off over temperature is put forward, and a corresponding calculation formula is given for the MR of p-type diamond films (Corbino discs). It is shown that the theoretical calculation that the MR of diamond films changes with temperature is consistent with the experiment. The influence of Fermi energy level on MR of diamond films is discussed. Additionally, the thermal effect mechanism of MR in p-type diamond films is also explored. 相似文献
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Effect of Post-Annealing on Microstructural and Electrical Properties of N^+Ion-Implanted into ZnO:In Films 下载免费PDF全文
We fabricate p-type conductive ZnO thin films on quartz glass substrates by codoping of In-N using radio frequency magnetron sputtering technique together with the direct implantation of acceptor dopants (nitrogen). The effects of thermal annealing on the structure and electrical properties of the ZnO films are investigated by an x-ray diffractometer (XRD) and a Hall measurement system. It is found that the best p-type ZnO film subjected to annealed exhibits excellent electrical properties with a hole concentration of 1.22 × 10^18 cm^-3, a Hall mobility of 2.19 cm^2 V^-1 s^- 1, and a low resistivity of about 2.33 Ωcm, indicating that the presence of In may facilitates the incorporation of N into ZnO thin films. 相似文献
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Indium-doped ZnO(ZnO:In) films are deposited on quartz substrates by rf magnetron sputtering. The effects of post-annealing on structural, electrical, optical and Raman properties are investigated by x-ray diffraction,Raman scattering, Hall measurement and first-principles calculation. The results indicate that all of the ZnO:In films have excellent crystallinity with a preferred ZnO(002) orientation. It is found that the incorporation of In can dramatically increase the intensity of the 274 cm~(-1) Raman mode. However, both post-annealing treatment and increasing O_2 partial pressure in the process of preparing thin films can reduce the intensity of the 274 cm~(-1) mode or even eliminate it, and relax compressive stress of the ZnO:In film judged by analyzing the shifts of the(002) Bragg peaks and E_2(high) mode. Finally, the origin of the 274 cm~(-1) mode is inferred to be the vibration of Zn interstitial(Zni) defects, which play a crucial role in the high electron concentration and low resistivity of ZnO:In films annealed in an appropriate temperature range(450–600℃). 相似文献
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采用射频磁控溅射法在富氧环境下制备ZnO薄膜, 继而结合N离子注入及热退火实现薄膜的N掺杂及p 型转变, 借助霍尔测试和拉曼光谱研究了N离子注入富氧ZnO薄膜的p型导电及拉曼特性. 结果表明, 在 600 ℃温度下退火120 min可获得性能较优的p-ZnO: N薄膜, 其空穴浓度约为2.527×1017 cm-3. N离子注入ZnO引入了三个附加拉曼振动模, 分别位于274.2, 506.7和640.4 cm-1. 结合电学及拉曼光谱的分析发现, 退火过程中施主缺陷与N受主之间的相互作用对p-ZnO的形成产生重要影响. 相似文献
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Based on the analysis and the discussion of the influence of thermal ionization energy and various scatterings on magnetoresistance(MR) of p-type diamond films,a revised model of valence band split-off over temperature is put forward,and a corresponding calculation formula is given for the MR of p-type diamond films (Corbino discs).It is shown that the theoretical calculation that the MR of diamond films changes with temperature is consistent with the experiment.The influence of Fermi energy level on MR of diamond films is discussed.Additionally,the thermal effect mechanism of MR in p-type diamond films is also explored. 相似文献
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First-principles calculations based on spin density functional theory are performed to study the spin-resolved electronic properties of ZnO codoped with Cu and N. (Cu, N)-codoped ZnO exhibits magnetism, and the total magnetic moment mainly originates from the p-d hybridization of Cu-N and Cu-O as well as p-p coupling interaction between N and O at the Fermi level. The Zn34Cu2O35N1 favors energetically a ferromagnetic ground state due to the existence of stable Cu-N-Cu complex. These results imply that the (Cu, N)-codoped ZnO is a promising dilute magnetic semiconductor free of magnetic precipitates, which could broaden the horizon of currently known magnetic systems. 相似文献