The contact nature when monolayer blue phosphorus (blueP) interfaces with three transition metal electrodes (i. e., Pd, Ir, and Pt) was unraveled by the ab initio density functional theory calculations. Specifically, n-type Schottky contact is observed for ...
Ammonia (NH3) is one of the most significant industrial chemical products due to its wide applications in various fields. However, the production of NH3 from the electrochemical nitrogen (N-2) reduction reaction (NRR) under ambient conditions is one of the ...
An ab initio density functional theory study on the candidacy of single-walled black phosphorus nanotubes (BPNTs) towards sensing several common toxic gas molecules (NH3, CO, NO, NO2, and SO2) was conducted. Various adsorption characteristics, including th ...
Black phosphorus (BP) is a semiconducting material with a direct finite band gap in its monolayer, attracting intense attention for its application in field-effect transistors. However, strong Fermi level pinning (FLP) has been observed for contacts betwee ...
