  First-principles based calculations were executed to investigate the sensing
properties of ammonia gas molecules on two-dimensional pristine black
phosphorene towards its application as a gas sensor and related applications.
We discuss in detail, the interaction of ammonia gas molecules on the
phosphorene single sheet through the structural change analysis, electronic
band gap, Bader charge transfer, and density-of-states calculations. Our
calculations indicate that the phosphorene could be used as a detector of
ammonia, where good sensitivity and very short recovery time at room
temperature have confirmed the potential use of phosphorene in the detection of
ammonia.
