Tuning nitrogen reduction reaction activity via controllable Fe magnetic moment: A computational study of single Fe atom supported on defective graphene

作者: Xiangyu Guo , Shiping Huang

DOI: 10.1016/J.ELECTACTA.2018.07.168

关键词:

摘要: … With increase of the N content in single vacancy defect, the spin density of single Fe atom … , we can observe that the PDS of each substrate is the protonation of N 2 * to form a N 2 H* …

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