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Theoretical insights on the oxygen-reduction reaction mechanism of LaN4-embedded graphene

Xiaoxu Sun1,2, Kai Li1, Cong Yin3

  • 1State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, 130022, People's Republic of China.

Journal of Molecular Modeling
|December 20, 2017
PubMed

Keywords:
Catalytic activityDensity functional theoryGrapheneLaN4ORR mechanism

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