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Updated: May 13, 2026

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Efficient NO electroreduction via MoN2 based on Mars-van-Krevelen mechanism: a novel design approach

Jiake Fan1, Lei Yang1, Lixin Ye1

  • 1Institute for Computation in Molecular and Materials Science, School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China.

Journal of Molecular Modeling
|May 12, 2026
PubMed
Abstract

Keywords:
Density functional theoryMars-van KrevelenMoN2NO electroreduction reaction

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