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First-principles study of two-dimensional material Cr2B2 as catalyst for electrochemical nitrogen reduction reaction

Long Lin, Pei Shi, Ling Fu, Chaozheng He, Jinrong Huo, Chenxu Zhao, Kun Xie, Longbin Yan, Linghao Zhu, Jingwen Sun, Zhanying Zhang

2021Journal of Electroanalytical Chemistry20 citationsDOI

Topics & Concepts

Antibonding molecular orbitalChemistryCatalysisDensity functional theoryElectrochemistryAdsorptionRedoxAtomic orbitalComputational chemistryNitrogenInorganic chemistryPhotochemistryPhysical chemistryElectronOrganic chemistryElectrodeQuantum mechanicsPhysicsAmmonia Synthesis and Nitrogen ReductionMXene and MAX Phase MaterialsHydrogen Storage and Materials
First-principles study of two-dimensional material Cr2B2 as catalyst for electrochemical nitrogen reduction reaction | Litcius