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Single-atoms (N, P, S) encapsulation of Ni-doped graphene/PEDOT hybrid materials as sensors for H(2)S gas applications: intuition from computational study

This comprehensive study was dedicated to augmenting the sensing capabilities of Ni@GP_PEDOT@H(2)S through the strategic functionalization with nitrogen, phosphorus, and sulfur heteroatoms. Governed by density functional theory (DFT) computations at the gd3bj-B3LYP/def2svp level of theory, the inves...

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Detalles Bibliográficos
Autores principales:	Benjamin, Innocent, Louis, Hitler, Ogungbemiro, Festus O., Agurokpon, Daniel C., Ekpong, Bassey O., Gber, Terkumbur E., Pembere, Anthony M. S.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10620405/ https://www.ncbi.nlm.nih.gov/pubmed/37914823 http://dx.doi.org/10.1038/s41598-023-46153-5

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