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

A. Dammak; F. Raouafi; A. Cavanna; P. Rudolf; D. di Caprio; V. Sallet; A. Madouri; J. M. Jancu

doi:10.1039/d2ra06112k

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

Materials Science 2023-10-20 v1

Authors: A. Dammak , F. Raouafi , A. Cavanna , P. Rudolf , D. di Caprio , V. Sallet , A. Madouri , J. M. Jancu

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Abstract

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 NH3 with increasing gas concentration.

Keywords

functionalized graphene first-principles calculation bandgap engineering ammonia detection 4-sulfobenzenediazonium electronic properties

Cite

@article{arxiv.2310.12872,
  title  = {Quantum tailoring of electronic properties in covalently functionalized graphene: application to ammonia gas detection},
  author = {A. Dammak and F. Raouafi and A. Cavanna and P. Rudolf and D. di Caprio and V. Sallet and A. Madouri and J. M. Jancu},
  journal= {arXiv preprint arXiv:2310.12872},
  year   = {2023}
}

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

Abstract

Keywords

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