Unique electron transport in ultrathin black phosphorene: Ab-initio study

© 2015 Elsevier B.V. All rights reserved. We present first principle structural, electronic, optical and transport analysis of black phosphorene a 2D layered material. The studied configuration shows semiconducting nature and the states around the Fermi energy are mainly contributed by the p-orbitals of atoms. In optical properties, the reflective spectrum is approximately dispersed in visible range suggesting that this 2D-nanostructure can be considered as shielding for visible region. Due to the anisotropy of the electronic structure of black phosphorene, the device performance is subtaintially preferable in armchair direction. Zero-bias transmission shows no conductance channel near Fermi level but in far region prominent spectra for the same is observed for black-phospherene. The studied configurations show non-linear current-voltage (I-V) characteristics. The sensitivity for NH 3 and NO 2 gas molecule is explored using electronic and current-voltage (I-V) characteristics. Investigations show that the black phosphorene has strong affinity for electron seeking NO 2 molecule, thus providing an opportunity for its sensor application