  Two-dimensional (2D) structures of boron atoms so called borophene, have
recently attracted remarkable attention. In a latest exciting experimental
study, a hydrogenated borophene structure was realized. Motivated by this
success, we conducted extensive first-principles calculations to explore the
mechanical, thermal conduction, electronic and optical responses of borophene
hydride. The mechanical response of borophene hydride was found to be
anisotropic in which it can yield an elastic modulus of 131 N/m and a high
tensile strength of 19.9 N/m along the armchair direction. Notably, it was
shown that by applying mechanical loading the metallic electronic character of
borophene hydride can be altered to direct band-gap semiconducting, very
appealing for the application in nanoelectronics. The absorption edge of the
imaginary part of the dielectric function was found to occur in the visible
range of light for parallel polarization. Finally, it was estimated that this
novel 2D structure at the room temperature can exhibit high thermal
conductivities of 335 W/mK and 293 W/mK along zigzag and armchair directions,
respectively. Our study confirms that borophene hydride benefits an outstanding
combination of interesting mechanical, electronic, optical and thermal
conduction properties, promising for the design of novel nanodevices.
