Nitrogen reduction reaction energy and pathways in metal-zeolites: deep learning and explainable machine learning with local acidity and hydrogen bonding features
Yuming Gu, Qin Zhu, Ziteng Liu, Cheng Fu, Jiayue Wu, Qiang Zhu, Qingqing Jia, Jing Ma
Abstract
The synergistic effect between metal coordination and HB interactions could realize nitrogen fixation in metal-zeolites, which was studied by deep learning and feature learning.
Topics & Concepts
MetalNitrogenChemistryCatalysisFeature (linguistics)HydrogenNitrogen fixationInorganic chemistryOrganic chemistryLinguisticsPhilosophyAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesNanomaterials for catalytic reactions