Accelerating the discovery of single-atom catalysts for nitrate reduction via machine learning and DFT

Chinese Chemical Letters 2026

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Authors: Haiyuan Liao, Yu Yan, Yuan Yao, Gheorghe G. Duca, Yang Liu

DOI: 10.1016/j.cclet.2026.112734

Cited by: 1

References: 33

Fields of Study & Subjects

Ammonia Synthesis and Nitrogen Reduction Machine Learning in Materials Science Inorganic Chemistry and Materials

References 33