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High-throughput screening and mechanistic insights into solid acid proton conductors

Hänseroth, Jonas et al.
arXiv (OAI Expanded) · Papers
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chemical-physicscomputational-physicsmaterials-science
Proton-conducting solid acids could enable water-free operation of high-temperature fuel cells. However, systematic materials screening has, hitherto, been computationally prohibitive. Here, we introduce a two-stage high-throughput screening strategy that directly computes proton diffusion coefficie
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