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The nature of small molecules adsorbed on defective carbon nanotubes

In this work, we perform a comprehensive theoretical study on adsorption of representative 10-electron molecules H(2)O, CH(4) and NH(3) onto defective single-walled carbon nanotubes. Results of adsorption energy and charge transfer reveal the existence of both chemical adsorption (CA) and physical a...

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Detalles Bibliográficos
Autores principales:	Li, Danhui, Wang, Fengting, Zhang, Zhiyuan, Jiang, Wanrun, Zhu, Yu, Wang, Zhigang, Zhang, Rui-Qin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6731717/ https://www.ncbi.nlm.nih.gov/pubmed/31598250 http://dx.doi.org/10.1098/rsos.190727

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