Exploring porphyrins induced carbon nanocone TM-PICNC (TM = Sc2+, Ti2+, V2+, Cr2+, Fe2+, Co2+, Ni2+, Cu2+, and Zn2+) as a highly sensitive sensor for CO2 gas detection in presence O2 and H2O molecules: a computational study

This study investigated the adsorption of CO2 molecules on transition metal ions (TM) porphyrins induced carbon nanocone (TM-PICNC) (TM = Sc2+, Ti2+, V2+, Cr2+, Fe2+, Co2+, Ni2+, Cu2+, and Zn2+) using density functional theory (DFT) to determine the stabilities, energetic, structural, and electronic...

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Autors principals:	Guizhou Wu, Sattar Arshadi, Omid Pouralimardan, Vahideh Abbasi, Esmail Vessally
Format:	Artigo
Idioma:	Inglês
Publicat:	Frontiers Media S.A. 2023-11-01
Col·lecció:	Frontiers in Chemistry
Matèries:	CO2 sensor nanocone porphyrin DFT
Accés en línia:	https://www.frontiersin.org/articles/10.3389/fchem.2023.1305362/full
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