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Colossal Ion Conductivity (CIC) is the phenomenon in which large changes inoxygen conductivity are observed when a solid state oxygen electrolyte isplaced in a heterolayer super lattice. Several hypotheses have been posedconcerning both structural changes of the ion conducting material and of theion conducting mechanism. The posed structural hypotheses are oxygen sublattice melting, phase change of the ion conducting material, and that theheterolayer environment does not induce a phase change of the ion conductingmaterial. The posed mechanistic hypotheses are disorder, mechanics, and spacecharge. Here, first principles molecular dynamics and statics of the ionconducting interface are performed providing evidence that under CIC conditionsno sub lattice melting nor phase change has occurred and that the electrolyteremains unchanged. A discussion of the posed mechanistic hypotheses is givenand cast as a series of mathematical statements. When these hypotheses arecompared with first principles calculations and literature results, they failto capture CIC; a new alternative dipole hypothesis is offered, which alsofails to capture CIC; further analysis of the literature points to CIC being aninterface mediated phenomenon, similar to grain boundary diffusion, where theoperando mechanism remain unclear.

A first principles analysis of the Colossal Ion Conductivity cubic  Zirconia structural hypothesis and disorder, mechanics, and space charge  mechanistic hypotheses