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Density Functional Theory Study on NiNx (x = 1, 2, 3, 4) Catalytic Hydrogenation of Acetylene

Cuili Hou1,2, Lihua Kang1, Mingyuan Zhu2

  • 1College of Chemistry & Chemical Engineering, Yantai University, Yantai 264005, China.

Molecules (Basel, Switzerland)
|September 9, 2022
PubMed

Keywords:
DFT-D3acetylene hydrogenationdensity functional theorygraphene catalyst

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