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Using Data Mining To Search for Perovskite Materials with Higher Specific Surface Area

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journal contribution
posted on 20.11.2018, 00:00 by Li Shi, Dongping Chang, Xiaobo Ji, Wencong Lu
The specific surface area (SSA) of ABO3-type perovskite is one of the important properties associated with photocatalytic ability. In this work, data mining methods were used to explore the relationship between the SSA (in the range of 1–60 m2 g–1) of perovskite and its features, including chemical compositions and technical parameters. The genetic algorithm–support vector regression method was used to screen the main features for modeling. The correlation coefficient (R) between the predicted and experimental SSAs reached as high as 0.986 for the training data set and 0.935 for leave-one-out cross-validation. ABO3-type perovskites with higher SSA can be screened out using the Online Computation Platform for Materials Data Mining (OCPMDM) developed in our laboratory. Further, an online web server has been developed to share the model for the prediction of SSA of ABO3-type perovskite, which is accessible at http://118.25.4.79/material_api/csk856q0fulhhhwv.

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