Carbon based two-dimensional (2D) materials with honeycomb lattices, like graphene, polyaniline carbon-nitride (C 3 N) and boron-carbide (BC 3 ) exhibit exceptional physical properties. On this basis, we propose two novel graphene-like materials with BC 6 N stoichiometry. We conducted first-principles calculations to explore the stability, mechanical response, electronic, optical and thermal transport characteristics of graphene-like BC 3 and BC 6 N monolayers. The absence of imaginary frequencies in the phonon dispersions confirm dynamical stability of BC 3 and BC 6 N monolayers. Our first principles * Corresponding authors

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 bandgap 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. 2Corresponding authors:

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The mechanical, electrical, and thermal properties of promising monolayer h-BAs; a comprehensive phonon transport analysis under uniaxial loading.

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