Proton Diffusion in Liquid 1,2,3-Triazole Studied by Incoherent Quasi-Elastic Neutron Scattering.

Improving the proton transport in polymer electrolytes impacts the performance of next-generation solid-state batteries. However, little is known about proton conductivity in nonaqueous systems due to the lack of an appropriate level of fundamental understanding. Here, we studied the proton transport in small molecules with dynamic hydrogen bonding, 1,2,3-triazole, as a model system of proton hopping in a nonaqueous environment using incoherent quasi-elastic neutron scattering. By using the jump-diffusion model, we identified the elementary jump-diffusion motion of protons at a much shorter length scale than those by nuclear magnetic resonance and impedance spectroscopy for the estimated long-range diffusion. In addition, a spatially restricted diffusive motion was observed, indicating that proton motion in 1,2,3-triazole is complex with various local correlated dynamics. These correlated dynamics will be important in elucidating the nature of the proton dynamics in nonaqueous systems.

提高聚合物电解质中的质子传输会影响下一代固态电池的性能。然而，由于缺乏适当程度的基础理解，人们对非水体系中的质子传导性知之甚少。在此，我们以具有动态氢键的小分子1,2,3 - 三唑作为非水环境中质子跳跃的模型体系，利用非相干准弹性中子散射研究了质子传输。通过使用跳跃扩散模型，我们确定了质子的基本跳跃扩散运动，其长度尺度比核磁共振和阻抗谱所估计的长程扩散要短得多。此外，还观察到了空间受限的扩散运动，这表明1,2,3 - 三唑中的质子运动是复杂的，具有各种局部相关动态。这些相关动态对于阐明非水体系中质子动力学的本质将是重要的。