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- W4200380265 abstract "Ion-exchange membranes for fuel cells have nanophase-segregated structures with percolated hydrophilic channels. Adding tethers up to seven carbons long between polymer ions and backbone has been shown to increase the conductivity of anion- and cation-exchange membranes at low water contents that are established under fuel cell operando conditions. This effect had been attributed to the development of better-clustered, wider ion-conducting channels. However, recent studies indicate that the width and clustering of the channels are insensitive to tether length. This poses the question of how do tethers increase ion mobility in membranes. Here, we use large-scale molecular simulations to elucidate the mechanisms of ion diffusion in polyphenylene oxide trimethylalkylammonium (PPO-TMA) anion-exchange membranes with cations tethered by alkyl chains from 1 to 12 carbons long, as a model for fuel cell membranes with variable tether length. We find that tethers increase the conductivity through a purely dynamical facilitation mechanism that originates in the synergism of strong cation–anion pairing and the restricted mobility of the polymer-bound cation. In the absence of a tether, the anion diffusion is dominated by ∼0.3 nm jumps into positions of their solvation water. Local mobility of tethered cations removes the jamming for anions, increasing the contribution of the faster continuous diffusion mechanism. The facilitation mechanism saturates for approximately seven carbon long tethers, revealing why that tether length is used in the best-performing commercial membranes." @default.
- W4200380265 created "2021-12-31" @default.
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- W4200380265 date "2021-12-08" @default.
- W4200380265 modified "2023-10-16" @default.
- W4200380265 title "Mechanism of Facilitation of Ion Mobility in Low-Water-Content Fuel Cell Membranes" @default.
- W4200380265 cites W1133726124 @default.
- W4200380265 cites W1930874064 @default.
- W4200380265 cites W1970615135 @default.
- W4200380265 cites W1973421154 @default.
- W4200380265 cites W1973497554 @default.
- W4200380265 cites W1984542011 @default.
- W4200380265 cites W1984827804 @default.
- W4200380265 cites W1989886890 @default.
- W4200380265 cites W1995266807 @default.
- W4200380265 cites W2004565744 @default.
- W4200380265 cites W2004832076 @default.
- W4200380265 cites W2011632885 @default.
- W4200380265 cites W2019465613 @default.
- W4200380265 cites W2019923586 @default.
- W4200380265 cites W2022039969 @default.
- W4200380265 cites W2035418980 @default.
- W4200380265 cites W2038172989 @default.
- W4200380265 cites W2046941894 @default.
- W4200380265 cites W2051231409 @default.
- W4200380265 cites W2051365363 @default.
- W4200380265 cites W2065604060 @default.
- W4200380265 cites W2066251384 @default.
- W4200380265 cites W2069220317 @default.
- W4200380265 cites W2070320808 @default.
- W4200380265 cites W2084971918 @default.
- W4200380265 cites W2086910587 @default.
- W4200380265 cites W2087576032 @default.
- W4200380265 cites W2090386340 @default.
- W4200380265 cites W2100100522 @default.
- W4200380265 cites W2107959691 @default.
- W4200380265 cites W2124259384 @default.
- W4200380265 cites W2125138077 @default.
- W4200380265 cites W2137352412 @default.
- W4200380265 cites W2153517978 @default.
- W4200380265 cites W2159726220 @default.
- W4200380265 cites W2161109166 @default.
- W4200380265 cites W2161705738 @default.
- W4200380265 cites W2289575659 @default.
- W4200380265 cites W2290796440 @default.
- W4200380265 cites W2297778343 @default.
- W4200380265 cites W2314780747 @default.
- W4200380265 cites W2319469731 @default.
- W4200380265 cites W2332791047 @default.
- W4200380265 cites W2549712358 @default.
- W4200380265 cites W2569786193 @default.
- W4200380265 cites W2580954066 @default.
- W4200380265 cites W2590285960 @default.
- W4200380265 cites W2614852779 @default.
- W4200380265 cites W2644999407 @default.
- W4200380265 cites W2733592195 @default.
- W4200380265 cites W2734855051 @default.
- W4200380265 cites W2745044252 @default.
- W4200380265 cites W2757951566 @default.
- W4200380265 cites W2767786323 @default.
- W4200380265 cites W2767951228 @default.
- W4200380265 cites W2792958437 @default.
- W4200380265 cites W2793463880 @default.
- W4200380265 cites W2801075068 @default.
- W4200380265 cites W2897227744 @default.
- W4200380265 cites W2898335868 @default.
- W4200380265 cites W2900481894 @default.
- W4200380265 cites W2904942413 @default.
- W4200380265 cites W2912006774 @default.
- W4200380265 cites W2923199113 @default.
- W4200380265 cites W2938016967 @default.
- W4200380265 cites W2941424526 @default.
- W4200380265 cites W2947614213 @default.
- W4200380265 cites W2954757122 @default.
- W4200380265 cites W2962845218 @default.
- W4200380265 cites W2974500244 @default.
- W4200380265 cites W3004400378 @default.
- W4200380265 cites W3022170610 @default.
- W4200380265 cites W3034075132 @default.
- W4200380265 cites W3042595459 @default.
- W4200380265 cites W3043255999 @default.
- W4200380265 cites W3081143157 @default.
- W4200380265 cites W3114500702 @default.
- W4200380265 cites W4200129255 @default.
- W4200380265 cites W881229182 @default.
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- W4200380265 doi "https://doi.org/10.1021/acs.jpcc.1c09096" @default.
- W4200380265 hasPublicationYear "2021" @default.
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