LLM-based extraction and modeling from literature data identifies new filler compositions for CoSb3 skutterudites predicted to have improved thermoelectric figure of merit, with DFT and MD validation.
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Large Language Model Assisted Discovery of Optimal Dopants for Enhanced Thermoelectric Performance in CoSb$_3$ Based Skutterudites
LLM-based extraction and modeling from literature data identifies new filler compositions for CoSb3 skutterudites predicted to have improved thermoelectric figure of merit, with DFT and MD validation.