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Article Dans Une Revue RSC Advances Année : 2022

Quantum tailoring of electronic properties in covalently functionalized graphene: application to ammonia gas detection

Résumé

Functionalized graphene offers great potential in the field of rapid detection of gases at room temperature. We performed first-principles calculations to study the suitability of 4-sulfobenzenediazonium salts (4SBD) as bandgap modifier in graphene. The signature of unpaired spins is evidenced near the Fermi level owing to the symmetry breaking of graphene sublattices. 4SBD-chemisorbed on graphene is found to be electronically sensitive to the presence of ammonia NH 3 with increasing gas concentration.
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Dates et versions

hal-03920261 , version 2 (03-01-2023)
hal-03920261 , version 1 (15-02-2024)

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A Dammak, Fayçal Raouafi, Antonella Cavanna, Petra Rudolf, Dung Di Caprio, et al.. Quantum tailoring of electronic properties in covalently functionalized graphene: application to ammonia gas detection. RSC Advances, 2022, 12 (55), pp.36002-36011. ⟨10.1039/d2ra06112k⟩. ⟨hal-03920261v2⟩
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