Selective detection of cyanogen halides by BN nanocluster: a DFT study

The electronic sensitivity and adsorption behavior toward cyanogen halides (X–CN; X = F, Cl, and Br) of a B(12)N(12) nanocluster were investigated by means of density functional theory calculations. The X-head of these molecules was predicted to interact weakly with the BN cluster because of the pos...

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Detalles Bibliográficos
Autores principales: Vessally, E., Behmagham, F., Massuomi, B., Hosseinian, A., Nejati, K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2017
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5371637/
https://www.ncbi.nlm.nih.gov/pubmed/28357691
http://dx.doi.org/10.1007/s00894-017-3312-1

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5371637/
https://www.ncbi.nlm.nih.gov/pubmed/28357691
http://dx.doi.org/10.1007/s00894-017-3312-1

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