A Theoretical Study of Fe Adsorbed on Pure and Nonmetal (N, F, P, S, Cl)-Doped Ti<sub>3</sub>C<sub>2</sub>O<sub>2</sub> for Electrocatalytic Nitrogen Reduction
The possibility of using transition metal (TM)/MXene as a catalyst for the nitrogen reduction reaction (NRR) was studied by density functional theory, in which TM is an Fe atom, and MXene is pure Ti<sub>3</sub>C<sub>2</sub>O<sub>2</sub> or Ti<sub>3</sub&g...
Main Authors: | Heng Luo, Xiaoxu Wang, Chubin Wan, Lu Xie, Minhui Song, Ping Qian |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2022-03-01
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Series: | Nanomaterials |
Subjects: | |
Online Access: | https://www.mdpi.com/2079-4991/12/7/1081 |
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