Theoretical study of the effect of coordination environment on the activity of metal macrocyclic complexes as electrocatalysts for oxygen reduction

Transition metal macrocyclic complexes are appealing catalysts for electrochemical oxygen reduction reaction (ORR). Here, we perform first-principles calculations to gain a comprehensive understanding on the structure-property relationship of the metal macrocyclic complex systems. Various modificati...

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Detalles Bibliográficos
Autores principales: Tian, Ziqi, Wang, Yuan, Li, Yanle, Yao, Ge, Zhang, Qiuju, Chen, Liang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9234223/
https://www.ncbi.nlm.nih.gov/pubmed/35769883
http://dx.doi.org/10.1016/j.isci.2022.104557

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9234223/
https://www.ncbi.nlm.nih.gov/pubmed/35769883
http://dx.doi.org/10.1016/j.isci.2022.104557

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