Zeolite Adsorption Isotherms Predicted by Pore Channel and Local Environmental Descriptors: Feature Learning on DFT Binding Strength

Fast prediction of adsorption isotherms is of great importance in the structural characterization and property prediction of zeolites prior to the synthesis of the target zeolite. Here, we employ the feature learning (FL) method to simulate the adsorption isotherms through density functional theory...

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Veröffentlicht in:	Journal of physical chemistry. C 2020-04, Vol.124 (17), p.9314-9328
Hauptverfasser:	Gu, Yuming, Liu, Ziteng, Yu, Changzhou, Gu, Xu, Xu, Lili, Gao, Yang, Ma, Jing
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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