LAUSR

Here we proposed a novel two-dimensional (2D) carbon allotrope namely pentagraphyne (PG-yne) which is energetically favourable than other graphyne members, including experimentally synthesized graphyne and graphdiyne monolayer. State-of-the-art theoretical calculations confirm that the new carbon allotrope not only dynamically, thermally and mechanically stable but also can withstand temperature up to 1000 K. It shows intrinsic semiconducting nature and the band gap is tuned by the application of strain. It possesses high electron mobility of 〖2.52×10〗^3 cm2V-1s-1 and exhibits extraordinary optical features covering complete visible regime and some part of UV as well. Remarkable carrier mobility along with its superior optical performance renders it to be a potential candidate for future electronics, photovoltaic solar cells and optoelectronic devices.