A Theoretical Study of Fe Adsorbed on Pure and Nonmetal (N, F, P, S, Cl)-Doped Ti(3)C(2)O(2) 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(3)C(2)O(2) or Ti(3)C(2)O(2−x) doped with N/F/P/S/Cl. The adsorption energy and Gibbs free energy were...

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Detalles Bibliográficos
Autores principales: Luo, Heng, Wang, Xiaoxu, Wan, Chubin, Xie, Lu, Song, Minhui, Qian, Ping
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9000748/
https://www.ncbi.nlm.nih.gov/pubmed/35407199
http://dx.doi.org/10.3390/nano12071081

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9000748/
https://www.ncbi.nlm.nih.gov/pubmed/35407199
http://dx.doi.org/10.3390/nano12071081

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