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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...
Autores principales: | Tian, Ziqi, Wang, Yuan, Li, Yanle, Yao, Ge, Zhang, Qiuju, Chen, Liang |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2022
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Materias: | |
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 |
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