Faradaic
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Related Articles from SNS
Ab Initio Free Energy Surfaces for Coupled Ion-Electron Transfer
arXiv:2510.19106v4 Announce Type: replace Abstract: Although coupled ion-electron transfer (CIET) has emerged as a powerful framework to rationalize the kinetics of Faradaic reactions, its mechanism has lacked a fully microscopic, first-principles description. Here we show that the coupling of electron-transfer to ion-transfer can be understood as an extension of Marcus theory in which the ensemble of diabatic nuclear configurations is conditioned on a classical collective variable...
Ab Initio Free Energy Surfaces for Coupled Ion-Electron Transfer
arXiv:2510.19106v5 Announce Type: replace Abstract: Although coupled ion-electron transfer (CIET) has emerged as a powerful framework to rationalize the kinetics of Faradaic reactions, its mechanism has lacked a fully microscopic, first-principles description. Here we show that the coupling of electron-transfer to ion-transfer can be understood as an extension of Marcus theory in which the ensemble of diabatic nuclear configurations is conditioned on a classical collective variable...