As
an alternative to liquid electrolytes, all-solid-state sodium-ion
batteries are receiving significant attention due to their potential
for improved safety and efficiency. Here, we propose a combined experimental
and machine learning (ML) approach for discovering glass electrolytes
while also providing insights into the role of different glass components.
Specifically, we experimentally prepare and measure the ionic conductivity
of 27 glass compositions of the sodium aluminophosphate glass family.
Further, we train ML models on this dataset to predict the ionic conductivity,
which exhibits excellent agreement with the experimental results.
We interpret the composition–conductivity relationship learned
by the ML model using Shapely additive explanations (SHAP), which
reveals the role played by the glass components in governing the conductivity.
Employing these observations, glass compositions with improved conductivity
values are predicted and experimentally validated. The results corroborate
the insights from SHAP analysis and enable optimized glass formulations
in real-world experiments. This demonstrates how ML tools can significantly
accelerate the discovery of Na-ion-conducting glass electrolytes.