Conversion of methane to benzene in CVI by density functional theory study

A density functional theory (DFT) study was employed to explore the mechanism of the conversion of methane to benzene in chemical vapor infiltration (CVI) based on the concluded reaction pathways from C(1)-species to C(6)-species. The geometry optimization and vibrational frequency analysis of all t...

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Detalles Bibliográficos
Autores principales: Li, Kun, Li, Hejun, Yan, Ningning, Wang, Tiyuan, Li, Wei, Song, Qiang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6925268/
https://www.ncbi.nlm.nih.gov/pubmed/31862987
http://dx.doi.org/10.1038/s41598-019-56136-0

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6925268/
https://www.ncbi.nlm.nih.gov/pubmed/31862987
http://dx.doi.org/10.1038/s41598-019-56136-0

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