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Understanding the CH(4) Conversion over Metal Dimers from First Principles
Inspired by the advantages of bi-atom catalysts and recent exciting progresses of nanozymes, by means of density functional theory (DFT) computations, we explored the potential of metal dimers embedded in phthalocyanine monolayers (M(2)-Pc), which mimics the binuclear centers of methane monooxygenas...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9100024/ https://www.ncbi.nlm.nih.gov/pubmed/35564225 http://dx.doi.org/10.3390/nano12091518 |