Stability and electronic structure of two-dimensional ARSENIC PHOSPHIDE (cas 12255-33-3) monolayer

Add time:08/08/2019    Source:sciencedirect.com

Using first-principles calculations, we investigate the geometric structures, stabilities, electronic structures, and magnetic properties of three kinds of AsP monolayers: blue-phosphorene-like AsP (blue AsP), black-phosphorene-like AsP (black AsP) and puckered AsP. Stability analysis implies a high possibility of fabricating AsP monolayers in experiments. The blue AsP monolayer possesses the most stable structure with an indirect band-gap of 2.52 eV. The blue AsP system is also a good candidate for visible light photocatalytic decomposition of water. The black one is a semiconductor with a direct band gap of 1.53 eV at the Γ point. The puckered AsP monolayer shows the lowest stability and narrowest indirect band gap of 1.38 eV. Both the intrinsic defects of P and As vacancies result in half-metallicity and magnetic semiconductor for blue and black AsP monolayers, respectively. Our results provide useful information to obtain new two dimensional materials for water splitting photocatalysts and spintronic devices.

We also recommend Trading Suppliers and Manufacturers of ARSENIC PHOSPHIDE (cas 12255-33-3). Pls Click Website Link as below: cas 12255-33-3 suppliers

Prev:Structure determination of niobium palladium arsenide, Nb5Pd4As4, from a 5×5×5 μm3 crystal with synchrotron radiation
Next:Ab initio calculations of antimony sulphide nanowire)