偶极玻璃和分子掺杂聚合物中跳跃输运对局域偶极有序的敏感性

D. Goldie
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引用次数: 4

摘要

通过蒙特卡罗模拟评价了有序偶极子区对通过偶极玻璃和分子掺杂聚合物的跳跃输运的影响。有序偶极子区域作为一组随机分布的立方体被引入无序偶极子晶格,其中立方体的数量和大小可以独立变化。在每个立方体内,邻近的偶极子是反排列的,以尽量减少局部能量紊乱,但每个插入立方体的特定偶极子方向是随机选择的。当无序偶极子位的总体比例被插入的有序立方体稀释时,潜在的态密度在能量上似乎变得更窄,这通常不会反映在相关的输运性质中。证明了偶极玻璃中与背景非对准偶极子相关的晶格势对观测到的宏观迁移率有控制作用。利用分子掺杂聚合物的互补模拟证实了这种非排列偶极子的重要性,其中掺杂偶极子聚集并有序进入立方区域。本文评价了模拟结果对解释偶极玻璃和分子掺杂聚合物的实验输运数据的意义。
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The Sensitivity of Hopping Transport in Dipolar Glasses and Molecularly Doped Polymers to Localised Dipole Ordering
The influence of ordered dipole regions upon hopping transport through dipolar glasses and molecularly doped polymers has been evaluated via Monte Carlo simulation. Ordered dipole regions were introduced as a set of randomly dis- tributed cubes throughout disordered dipolar lattices where the number and size of the cubes could be independently varied. Within each cube neighbouring dipoles were anti-aligned to minimise the local energetic disorder but the specific dipole orientation for each inserted cube was randomly selected. Whilst the underlying density of states appears to become ener- getically narrower as the overall proportion of disordered dipole sites is diluted by inserted ordered cubes this is not generally reflected in the associated transport properties. It is demonstrated that the lattice potential that is associated with background non-aligned dipoles in dipolar glasses have a controlling influence upon the observed macroscopic mobility. Confirmation of the importance of such non-aligned dipoles is provided by complimentary simulations using molecularly doped polymers where the dopant dipoles are agglomerated and ordered into cubic regions. The implication of the simulation results for the interpretation of experimental transport data in dipolar glasses and molecularly doped polymers is evaluated.
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