DFT investigation of H2S adsorption on graphenenanosheets and nanoribbons: Comparative study

• Published in: Superlattices and microstructures Vol. 146; p. 106650
• Main Authors: Salih, Ehab, Ayesh, Ahmad I.
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01.10.2020
• Subjects: Armchair; Gas sensor; Graphene; H2S adsorption; Nanoribbons; Zigzag; H2S adsorption; Gas sensor; Nanoribbons; Zigzag; Graphene; Armchair

Graphenenanosheet (GNS), armchair graphenenanoribbon (AGNR), and zigzag graphenenanoribbon (ZGNR) systems were investigated by first principle calculations using the density functional theory (DFT). The DFT calculations explored the potential of utilization of these materials as gas sensors to detec...