High-throughput DFT screening of single-atom catalysts: unraveling the effects of transition metals and coordination environments for electrocatalytic nitrate-to-ammonia conversion

Applied Surface Science 2026

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Authors: Beibei Yan, Genqi Xu, Tiecheng Liu, Kang Tang, Jinglan Wang, Guanyi Chen, Zhanjun Cheng

DOI: 10.1016/j.apsusc.2026.166226

Cited by: 2

References: 57

Fields of Study & Subjects

Ammonia Synthesis and Nitrogen Reduction Advanced Photocatalysis Techniques Environmental remediation with nanomaterials

References 57