About the choice of the protogenic group in polymer electrolyte membranes: Ab initio modelling of sulfonic acid, phosphonic acid, and imidazole functionalized alkanes.

The possible use of sulfonic acid, phosphonic acid, or imidazole as the protogenic group in polymer electrolyte membranes for fuel cells operating at intermediate temperature (T>100 degrees C) and very low humidity conditions is examined by comparing specific molecular properties obtained with first principles based electronic structure calculations… (More)