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排序方式: 共有454条查询结果,搜索用时 15 毫秒
1.
Zdeněk Slanina Filip Uhlík Lipiao Bao Takeshi Akasaka Xing Lu Ludwik Adamowicz 《Fullerenes, Nanotubes and Carbon Nanostructures》2020,28(7):565-570
AbstractRelative populations of four energy-lowest IPR (isolated-pentagon-rule) isomers of Eu@C86 are computed using the Gibbs energy based on characteristics from density functional theory calculations (M06-2X/3-21G?~?SDD entropy term, M06-2X/6-31G*~SDD or B2PLYP(D)/6-31G*~SDD energetics). The calculations confirm that the recently isolated Eu@C1(7)-C86 species is a major isomer in a relevant temperature region. Relationship to the empty C86 cages is discussed, too. 相似文献
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Polystyrene‐fullerene compositions containing up to 0.45 mol % (3 wt %) fullerene C60 were investigated. It was established that the addition of fullerene to polystyrene (PS) leads to an increase of molecular packing density and so influences the transport of small molecules through the polymer films. Gas diffusion through films of PS‐fullerene compositions is slower than through PS films, and gas separating properties of compositions are higher. Dielectric studies showed that the fullerene is distributed as clusters in the polymer matrix of solid composition prepared from a toluene solution of PS and fullerene. Heating without air to the temperature higher than PS glass transition leads to increasing relaxation time of α‐transition in PS of compositions containing >0.15 mol % (1 wt %) fullerene. This effect is caused by rather strong interaction of PS chains via fullerene molecules entered into the PS‐fullerene complex. © 2002 Wiley Periodicals, Inc. J Appl Polym Sci 85: 2946–2951, 2002 相似文献
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采用Tersoff-Brenner势与L—J势的分子动力学方法,研究了双石墨层作用下C32、C60、C180以及C60@C180富勒烯分子的压缩力学特性。根据计算结果,讨论了几种富勒烯压缩过程中的变形、能量、压缩栽荷等的变化及其差异。研究表明,由于分子几何构形上的差异,压缩时,C180出现了明显的“塌陷”现象,“塌陷”过程中,能量及外载荷一度下降;几种富勒烯压缩时的能量吸收能力排序为:C32〉C60〉C60@C180〉C180,承载能力的排序为:C60@C180〉C180〉C60〉C32。 相似文献
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Although photocells are commonly characterized under AM1.5G 100 mW cm−2 (1 sun) illumination, their performance under low light illumination is also important, because photocells are frequently used for indoor applications. In this study, polymer photocells based on a bulk heterojunction composite consisting of a low energy gap polymer PTB7 and unmodified C70 prepared with a halogen-free solvent 1,2,4-trimethylbenzene have been characterized under the illumination of 1 sun or below. A typical photocell with the power conversion efficiency (PCE) of 4% at 1 sun shows the PCE of approximately 7% at 10−3 sun, which seems to fit for some indoor applications such as a permanent power source for a wireless sensor node. The sublinear dependence of short-circuit photocurrent on light intensity as well as the increase of fill-factor under low light illumination yields the increased efficiency under low light illumination. An analysis employing a one-diode equivalent circuit model suggests that the increased parallel resistance as well as the decreased saturation current of the diode under low light illumination accounts for the latter feature. It is also pointed out that the parallel resistance and/or the saturation current under dark strongly influence the PCE of a photocell under low light illumination. In addition, the dependence of the device performance on the light intensity is found to be useful for analyzing the effects of the thermal treatment and the PFN interlayer at cathode. 相似文献
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《Organic Electronics》2014,15(2):549-562
Organic photovoltaics (OPVs) have acquired huge attention over the past years as potential renewable energy sources, adding attractive features such as aesthetics, semi-transparency, flexibility, large area printability, improved low-light performance, and cost-effectiveness to the well-known Si-based photovoltaics. Steady improvements in OPV power conversion efficiencies are continuously reported, notably for bulk heterojunction solar cells based on conjugated polymer:fullerene blends. However, apart from efficiency and cost, the stability of organic solar cell devices is of particular concern. Among the different factors contributing to OPV instability, gradual loss of the optimum phase-separated nanomorphology of the photoactive layer blend is a critical parameter. In this paper, we present the results of ‘shelf-life’ accelerated lifetime tests performed for devices containing a range of functionalized poly(3-alkylthiophene) (P3AT) donor polymers upon prolonged thermal stress. By the incorporation of functional moieties on the side chains of P3HT-based copolymers, a remarkable improvement of the intrinsic stability of the active layer blend morphology is accomplished, even for fairly low built-in ratios (5–15%) and without crosslinking to covalently anchor the polymer and/or fullerene molecules. Moreover, these alterations do not influence the initial power conversion efficiencies to a large extent. As such, the presented approach can be regarded as an attractive paradigm for OPV active layer stability. 相似文献
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《Organic Electronics》2014,15(1):299-305
A direct comparison of charge transport and electronic traps in representative polymer–fullerene blend, poly (3-hexylthiophene) (P3HT) and 1-(3-methoxycarbonyl)-propyl-1-phenyl-(6,6)C61 (PCBM), is carried out in dark and illuminated conditions based on the measurements of temperature-dependent current–voltage characteristics. In dark condition, the charge transport presents a transition from Ohmic to trap-limited current. While the trap-filled space charge limited current is observed under illumination at the same applied bias. From evaluations of trap density and energy distribution by a differential method, it is reveal that the diverse charge transport in dark and illuminated conditions is mainly caused by the different trap states distribution, which strongly affects the space charges and the electrical field in P3HT: PCBM blends. 相似文献