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Quantum Tailoring of Electronic Properties in Covalently Functionalized Graphene: Application to Ammonia Gas Detection by Dammak, A.; Raouafi, F.; Cavanna, A.; Rudolf, P.; di Caprio, D.; Sallet, V.; Madouri, A.; Jancu, J. M. is a scholarly article available to read on EtoBox.

What is Quantum Tailoring of Electronic Properties in Covalently Functionalized Graphene: Application to Ammonia Gas Detection about?

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.

Author

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

Published

2023

Language

EN