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.
S., Dresselhaus, G., Fleurial, J
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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.