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The mechanism of nitrogen reduction reaction on defective boron nitride (BN) monolayer doped with monatomic Co, Ni, and Mo–A first principles study

Lianyang Zhang, Yue Meng, Aoki Koso, Yiyang Yao, Haodong Tang, Shengjie Xia

2022Colloids and Surfaces A Physicochemical and Engineering Aspects15 citationsDOI

Topics & Concepts

Boron nitrideMonolayerDensity functional theoryMaterials scienceBoronTransition metalCatalysisNitrideComputational chemistryCrystallographyChemistryNanotechnologyLayer (electronics)Organic chemistryAmmonia Synthesis and Nitrogen ReductionMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques
The mechanism of nitrogen reduction reaction on defective boron nitride (BN) monolayer doped with monatomic Co, Ni, and Mo–A first principles study | Litcius