Electronic properties of a pristine and NH < inf> 3 /NO < inf> 2 adsorbed buckled arsenene monolayer

Document Type


Publication Date



© 2016 The Royal Society of Chemistry. Analogous to exfoliated 2D sheets of black phosphorene, arsenene is an atomically thin layer of the arsenic crystal. In this paper, we investigate the sensitivity of a pristine arsenene sheet for NH3 and NO2 molecules in terms of binding energy, nature of bonding, density of states and current-voltage characteristics. The calculated results based on density functional theory find that both NH3 and NO2 molecules show a significant affinity for arsenene leading to strong physisorption with significant electronic charge transfer. The calculated I-V characteristics reveal that physisorption of NH3 and NO2 induces modifications in the conductivity of pristine arsenene. Incorporation of Ge in arsenene leads to enhanced binding of NH3 and NO2via chemisorption on arsenene.

Publication Title

RSC Advances