Improving the crystalline quality of boron phosphide (BP) is essential for realizing its full potential in semiconductor device applications. In this study, 3C-SiC was tested as a substrate for BP epitaxy. BP films were grown on 3C-SiC(100)/Si, 3C-SiC(111)/Si, and 3C-SiC(111)/4H-SiC(0001) substr...detailed
Two-dimensional (2D) materials have gained tremendous research interests for gas sensing applications because of their ultrahigh theoretical specific surface areas and unique electronic properties. Here, we investigate the adsorption of CO, SO2, NH3, O2, NO and NO2 gas molecules on pure and dope...detailed
Epitaxial growth of boron phosphide (BP) films on 4H- and 6H-SiC(0001) substrates with on- and off-axis orientations was investigated in this study. The films were prepared by chemical vapor deposition using phosphine and diborane as reactants over a temperature range of 1000 oC–1200 °C. The e...detailed
We report that a covalent compound, boron phosphide (BP), can function as a highly stable and metal-free photocatalyst to produce hydrogen from water in the presence of sacrificial agents under visible light irradiation, even at extreme conditions such as strong acid and alkali. The BP photocata...detailed
The adsorption of alkali atoms (Li, Na, and K) on graphene and hexagonal boron phosphide (h-BP) is studied by means of various density functionals including semi-local GGA, dispersion corrected DFT-D, meta-GGA, and many of the available non-local vdW-DF functionals. The accurate interaction ener...detailed
Continuous strides are made to realize molecular systems with exceptionally high nonlinear optical response. Here, we report alkali metal exohedrally doped phosphide nanocages as the excellent materials with remarkable nonlinear optical response. Density functional theory calculations have been ...detailed