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Elastic electron scattering with formamide-(H2O)n complexes (n=1, 2): Influence of microsolvation on the π* and σ* resonances 下载免费PDF全文
Kedong Wang 《中国物理 B》2021,30(12):123401-123401
We report elastic cross sections for low-energy electron scattering with formamide-(H2O)n complexes (n=1, 2) in the energy region of 0.01-8 eV. The scattering calculations are performed using the R-matrix method in the static-exchange (SE) approximation. We consider three structures of formamide-H2O and six structures of formamide-(H2O)2 in the present work. Our purpose is to investigate effects of water molecules hydrogen-bonding to formamide. We focus on the influence of microsolvation on the π* and σ* resonances of formamide. The scattering result for complexes shows that the position of π* resonance appears at lower or higher energies in the cluster than in the isolated formamide depending on the complex structure and the water role in the hydrogen bonding. We explain this behavior according to the net charge of the solute. It is found that the microsolvation environment has a substantial effect on the width of π* resonance. Our results indicate that surrounding water molecules may affect the lifetime of the resonances, and hence the process is driven by the anion state, such as the dissociative electron attachment. 相似文献
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本文考虑了受L\''evy噪声扰动的Logistic方程. 在合适的条件下, 我们得到了解的全局存在性与唯一性; 我们证明了当初始值小于环境的容纳量时, 唯一的正的平衡态具有全局吸引性. 相似文献
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详细研究了沉积在Poly(9-vinylcarbazole)(PVK)薄膜上的8-羟基喹啉铝(Alq3)薄膜的形态结构对电致发光器件ITO/PVK/Alq3/Mg-Ag性能的影响。研究结果表明:发光层(Alq3层)的表面形貌极大地影响发光层和金属阴极的接触面积,从而影响器件的电流-电压特性。发光层的表面越均匀连续,发光层和金属阴极的接触面积就越大,通过器件的电流就越大。在三种条件的器件中,基底温度为438K时制备的Alq3薄膜所对应的器件的量子效率最高,298K制备的器件的率效次之,77K制备的器件的效率最差。 相似文献
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