在有机混合离子和电子导体中静电失调的动态性质
Colm Burke1, Alessandro Landi1,2, Alessandro Troisi1
1Department of Chemistry, University of Liverpool, Liverpool, L69 3BX, UK. atroisi@liverpool.ac.uk.
Materials horizons
|August 13, 2024
概括
无序材料中的电荷流动性不受静态无序的限制. 有机离子电子共聚合物 (OMIECs) 的动态失调允许高电荷流动性,挑战传统模型.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
- 物理化学 物理化学
背景情况:
- 无序介质中的电荷传输通常假定一个静态的能量格局.
- 广泛接受的是低电子干扰和高电荷移动性之间的强烈相关性.
- 有机离子电子共聚物 (OMIECs) 尽管存在显著的障碍,但具有很高的流动性,这与传统的理解相矛盾.
研究的目的:
- 为了调查OMIEC聚合物中障碍的性质.
- 阐明动态混乱对电荷传输机制的影响.
- 挑战充电动态中静态能源景观的假设.
主要方法:
- 使用经典模拟和量子化学计算.
- 在纳秒时间尺度上分析电荷动态.
- 描述电荷运输现场能量波动的特征.
主要成果:
- 在OMIEC聚合物的障碍是高度动态的,与能源格局波动.
- 电荷载体动力学是由材料的内在动力学决定的,而不是静态障碍.
- 深陷,虽然存在,但具有有限的寿命.
结论:
- 对于OMIECs来说,常规的静止障碍模型是不够的.
- 动态失调在使这些材料具有高电荷流动性方面发挥着至关重要的作用.
- 未来的研究应该将时间依赖性障碍纳入准确的电荷动态建模.
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