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131.
132.
Using quantum chemistry methods B3LYP/6-31++G(d,p) to optimize endohedral complexes X@(HBNH)12 (X=Li^0/+, Na^0/+, K^0/+, Be^0/2+, Mg^0/2+, Ca^0/2+, H and He), the geometries with the lowest energy were achieved. Inclusion energy, standard equilibrium constant, natural charge, spin density, ionization potentials, and HOMO-LUMO energy gap were also discussed. The calculation predicted that X=Na^0/+, K^0/+, Mg^0/2+, Ca^0/2+, H and He are nearly located at the center of (HBNH)12 cluster. Li^+ lies in less than 0.021 nm departure from the center. Li and Be^0/2+ dramatically deviate from the center. (HBNH)12 prefers to enclose Li^+, Be^2+, Mg^2+, and Ca^2+ in it than others. Moreover, M@(HBNH)12 (M=Li, Na, K) species are "superalkalis" in that they possess lower first ionization potentials than the Cs atom (3.9 eV). 相似文献
133.
We further study the projective synchronization of a new hyperchaotic system. Different from the most existing methods, intermittent control is applied to chaotic synchronization in the present paper. We formulate the intermittent control system that governs the dynamics of the projective synchronization error, then derive the sufficient conditions for the exponential stability of intermittent control system by using Lyapunov stability theory, and finally establish the periodically intermittent controller according to the stability criterion by which the projective synchronization is expected to be achieved. The analytical results are also demonstrated by several numerical simulations. 相似文献
134.
Regulation of Zn/Sn ratio in kesterite absorbers to boost 10% efficiency of Cu_2ZnSn(S,Se)_4 solar cells
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The Zn/Sn ratio in Cu_2ZnSn(S,Se)_4(CZTSSe)films has been regulated to control the composition-related phase,defect,and photoelectric properties for high performance kesterite solar cells.It is found that the increase in the Zn/Sn ratio can slightly narrow the energy band gap to extend the light absorption range and improve the photocurrent.Optimal Zn/Sn ratio of 1.39 in CZTSSe film is obtained with the least secondary phase,the lowest defect density,and the longest charge recombination lifetime.Up to 10.1%photoelectric conversion efficiency has been achieved by this composition regulation. 相似文献
135.
In nanomaterials, optical anisotropies reveal a fundamental relationship between structural and optical properties, in which directional optical properties can be exploited to enhance the performance of optoelectronic devices. First principles calculation based on density functional theory(DFT) with the generalized gradient approximation(GGA) are carried out to investigate the energy band gap structure on silicon(Si) and germanium(Ge) nanofilms. Simulation results show that the band gaps in Si(100) and Ge(111) nanofilms become the direct-gap structure in the thickness range less than 7.64 nm and7.25 nm respectively, but the band gaps of Si(111) and Ge(110) nanofilms still keep in an indirect-gap structure and are independent on film thickness, and the band gaps of Si(110) and Ge(100) nanofilms could be transferred into the direct-gap structure in nanofilms with smaller thickness. It is amazing that the band gaps of Si~((1-x)/2)Ge~xSi~((1-x)/2)sandwich structure become the direct-gap structure in a certain area whether(111) or(100) surface. The band structure change of Si and Ge thin films in three orientations is not the same and the physical mechanism is very interesting, where the changes of the band gaps on the Si and Ge nanofilms follow the quantum confinement effects. 相似文献
136.
采用磁控溅射法在LaNiO3/Si衬底上制备了6;Pb(Mn1/3Nb2/3)O3-94; Pb(Zr0.52 Ti0.48) O3 (PMnN-PZT)铁电薄膜,对其微结构和铁电特性进行了研究.结果表明,该铁电薄膜呈(001)高度择优取向,取向度高达98;.经过1010次铁电循环测试,铁电薄膜无疲劳现象;在104 s时间内,薄膜的铁电保持和印记特性稳定,无明显退化.该结果说明LaNiO3氧化物电极会降低PMnN-PZT薄膜的氧空位浓度,有效地缓解了电荷注入的问题,因此改善了PMnN-PZT薄膜的铁电性能. 相似文献
137.
High temperature characteristics of bilayer epitaxial graphene field-effect transistors on SiC Substrate
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In this paper,high temperature direct current(DC) performance of bilayer epitaxial graphene device on SiC substrate is studied in a temperature range from 25℃ to 200℃.At a gate voltage of-8 V(far from Dirac point),the drainsource current decreases obviously with increasing temperature,but it has little change at a gate bias of +8 V(near Dirac point).The competing interactions between scattering and thermal activation are responsible for the different reduction tendencies.Four different kinds of scatterings are taken into account to qualitatively analyze the carrier mobility under different temperatures.The devices exhibit almost unchanged DC performances after high temperature measurements at 200℃ for 5 hours in air ambience,demonstrating the high thermal stabilities of the bilayer epitaxial graphene devices. 相似文献
138.
增强的UV-B辐射对高粱幼苗光合和抗氧化系统的影响 总被引:1,自引:0,他引:1
由于臭氧层逐渐变薄,到达地球表面UV-B辐射不断增加,因UV-B辐射改变的太阳光谱将会对陆地植物造成不同程度的伤害。本试验以高粱龙杂5为材料,对二叶一心高粱进行四种剂量UV-B处理,恢复2 d采用光合仪测定光合参数,并取样测定抗氧化酶活性。随着UV-B剂量的升高,高粱叶片褐化损伤加重,植株矮化,鲜重和干重显著降低;花青素含量显著升高,叶绿素和类胡萝卜素含量显著减少,净光合速率和叶绿素荧光参数显著下降。同时,随UV-B剂量升高,高粱幼苗气孔导度、胞间CO2浓度和蒸腾速率表现为“降-升-降”变化;POD和CAT活性呈现“降-升-降”变化;SOD和GR活性呈现“降-升”变化,APX和GPX呈现“升-降-升”变化。在供试的四种剂量中,UV-B处理6 h(相当2.4 J·m-2)的高粱幼苗净光合急剧下降,其他光合指标以及抗氧化酶活性也表现出明显转折。结果表明,增强的UV-B辐射直接导致高粱光合色素、净光合速率和叶绿素荧光参数的改变;高粱抗氧化系统对高、低剂量UV-B响应机制不同, 其中 ASA-GSH循环对低剂量UV-B反应更敏感,高剂量UV-B辐射不仅破坏高粱光合作用,而且启动植物酶促和非酶抗氧化系统,导致叶片褐化坏死,植株生物量累积减少、株高矮化,甚至死亡。 相似文献
139.
Synchronization of the fractional-order generalized augmented L u¨system and its circuit implementation
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In this paper, the synchronization of the fractional-order generalized augmented Lu¨ system is investigated. Based on the predictor–corrector method, we obtain phase portraits, bifurcation diagrams, Lyapunov exponent spectra, and Poincare′maps of the fractional-order system and find that a four-wing chaotic attractor exists in the system when the system parameters change within certain ranges. Further, by varying the system parameters, rich dynamical behaviors occur in the2.7-order system. According to the stability theory of a fractional-order linear system, and adopting the linearization by feedback method, we have designed a nonlinear feedback controller in our theoretical analysis to implement the synchronization of the drive system with the response system. In addition, the synchronization is also shown by an electronic circuit implementation for the 2.7-order system. The obtained experiment results accord with the theoretical analyses,which further demonstrate the feasibility and effectiveness of the proposed synchronization scheme. 相似文献
140.
通过电弧熔炼制备了Fe75B16.67Si8.33非晶合金,通过真空钎焊获得了钨/低活化钢接头.通过对钎焊接头表面形貌、微观组织、成分和力学性能的表征,发现在1250℃保温10min下所获得的钎焊接头界面无孔洞、裂纹等宏观缺陷,接头组织中生成了Fe固溶体、Fe3B和FeWB金属间化合物,拉伸强度高达450MPa. 相似文献