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1. Theoretical exploration of the nitrogen fixation mechanism of two-dimensional dual-metal TM1TM2@C9N4 electrocatalysts

Author

Jinxin Sun, Peng Xia, Yuxing Lin, Yunfan Zhang, Anjie Chen, Li Shi, Yongjun Liu, Xianghong Niu, Ailei He, and Xiuyun Zhang

Subjects
General Materials Science
Abstract

Four TM1TM2@C9N4 candidates (TM1TM2 = NiRu, FeNi, TiNi, and NiZr) with end-on N2 adsorption configuration, and two candidates (TM1TM2 = TiNi and TiFe) with side-on adsorption configuration, were screened out as high efficiency NRR catalysts.

Published
2023
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