Investigating and comparing structural, electronic and optical properties of χ3-Borophene in monolayer, nanoribbon and nanotube modes as a transparent metal

The density functional theory (DFT) was adopted to investigate the electronic, structural, and optical properties of chi 3-borophene monolayer, borophene nanoribbons, and borophene nanotubes. The effect of oxidation on the stability of bomphene was also studied. The cohesive energy of oxidized borophene (25% O-defected), chi 3-bomphene nanoribbon (BNR), zigzag (12,0) and (16,0) and armchair (6,6) and (8,8) BNTs were compared. We found that the adsorption of oxygen on the boron ML is barrierless, and this reduces stability because any changes trying to buckle the structure lower its stability. The material had a very high optical transparency that makes it a very good candidate in photovoltaic and touch screen applications. It was shown that zigzag BNTs have a 100% optical transmission in visible, UV, and portions of the IR spectrum. Moreover, a considerable decrease in the absorption coefficient of zigzag nanotubes was observed compared to the monolayer.