Institute of Physics, University of Freiburg, Hermann-Herder-Straße 3, 79104 Freiburg, Germany.
Phys Rev Lett. 2023 Mar 10;130(10):108202. doi: 10.1103/PhysRevLett.130.108202.
Underscreening is a collective term for charge correlations in electrolytes decaying slower than the Debye length. Anomalous underscreening refers to phenomenology that cannot be attributed alone to steric interactions. Experiments with concentrated electrolytes and ionic fluids report anomalous underscreening, which so far has not been observed in simulation. We present Molecular Dynamics simulation results exhibiting anomalous underscreening that can be connected to cluster formation. A theory that accounts for ion pairing confirms the trend. Our results challenge the classic understanding of dense electrolytes impacting the design of technologies for energy storage and conversion.
欠屏化是指在电解质中，电荷相关的弛豫慢于德拜长度的一种集体现象。反常欠屏化是指不能仅归因于位阻相互作用的一种现象。在浓缩电解质和离子液体的实验中，报道了反常欠屏化，但到目前为止，在模拟中还没有观察到这种现象。我们提出了分子动力学模拟结果，显示了可以与簇形成相关的反常欠屏化。一种解释离子配对的理论证实了这一趋势。我们的结果挑战了对致密电解质的经典理解，这对储能和转换技术的设计产生了影响。
