Abstract

The packed-acid mechanism has been recently proposed as a proton conduction mechanism in environments with a high concentration of proton donors, whereby protons are conducted via acid-acid interaction. The acid-acid interaction was originally stated to occur only when a hydrogen bond (H-bond) is formed directly between proton donors. This study clarifies that proton donors can indirectly interact with each other through several H-bonds, even when the donors are separated distantly (indirect acid-acid interactions). Ab initio calculations confirmed that indirect interaction make a non-negligible contribution to proton diffusivity.

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