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Migration energy barriers of protons in Bi12SiO20and Bi11.5Pb0.5SiO20(without and with protondopant association, respectively). The energy barriers reach a maximum in the transition between positions 5 and 5, yielding a migration energy barrier of 0.31 eV without protondopant association. The association between a proton and Pb2+is largest at position 1, with an energy of 0.3 eV. The total migration energy barrier considering the association is 0.6 eV, comparable to conventional proton-conducting perovskite oxides.
#Line Plot#Scatter Plot#Migration Energy Barriers#Protons#Bi12SiO20#Bi11.5Pb0.5SiO20#Proton-Dopant Association#Perovskite Oxides
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