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Synergistic Effects of Phase Transition and Electron-Spin Regulation on the Electrocatalysis Performance of Ternary Nitride |
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| Authors: | Jinjin Ban Hongjie Xu Guoqin Cao Yameng Fan Wei Kong Pang Guosheng Shao Junhua Hu |
| Affiliation: | 1. School of Materials Science and Engineering, State Center for International Cooperation on Designer Low-Carbon & Environmental Mouaterials (CDLCEM), Zhengzhou University, Zhengzhou, 450001 China;2. Institute for Superconducting & Electronic Materials, University of Wollongong, Wollongong, NSW, 2500 Australia
Department of Chemical and Process Engineering, University of Surrey, Guildford, GU2 7XH UK;3. Institute for Superconducting & Electronic Materials, University of Wollongong, Wollongong, NSW, 2500 Australia |
| Abstract: | Transition metal nitrides (TMNs) have great potential use in energy storage and conversion owing to tunable electronic and bonding characteristics. Novel iron rich nitrides nanoparticles anchored on the N-doped porous carbon, named as (CoxFe1–x)3N@NPC (0 ≤ x < 0.5) are designed here. The synergistic effects of phase transition and electron-spin regulation on oxygen electrocatalysis are testified. A core–shell structure of (CoxFe1–x)3N with high dispersibility is induced by an intermediate phase transition process, which significantly suppresses coarsening of the metallic nitrides. The Co incorporation regulates d-band electrons spin polarization. The t2g5eg1 of FeII with the ideal eg electron filling boosts intrinsic activity. (Co0.17Fe0.83)3N@NPC with optimal cobalt content holds electronic configuration with moderate eg electron filling (t2g5eg1), which balances the adsorption of *O2 and the hydrogenation of *OH, improving bifunctional catalytic performances. Both liquid and solid-state zinc–air batteries assembled based (Co0.17Fe0.83)3N@NPC cathodes substantially deliver higher peak power density and remarkable energy density. |
| Keywords: | electrocatalysis electron-spin regulation phase transition transition metal nitrides |