Dissociative adsorption modes of TATB on the Al (111) surface: a DFT investigation

Herein, the adsorption modes and electronic structures of TATB/Al (111) systems were investigated using the density functional theory (DFT) approach. We found that chemical adsorption led to the decomposition of the TATB molecule on the Al surface by four adsorption modes. All the adsorption configu...

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Detalles Bibliográficos
Autores principales: Zhao, Guo-zheng, Li, Hui-li, Jia, Jian-feng, Wu, Hai-shun, Lu, Ming
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9063387/
https://www.ncbi.nlm.nih.gov/pubmed/35517013
http://dx.doi.org/10.1039/c9ra00989b

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9063387/
https://www.ncbi.nlm.nih.gov/pubmed/35517013
http://dx.doi.org/10.1039/c9ra00989b

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