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Since the discovery of graphene, two-dimensional (2D) materials have paved anew routine for designing high-performance nanoelectronic devices. Tofacilitate the device applications, there are three key requirements for amaterial: sizeable band gap, high carrier mobility and robust environmentalstability. However, for the hottest 2D materials studied in recent years,graphene is gapless, transition metal dichalcogenides have low carriermobility, and black phosphorene is environmentally sensitive. So far, thesethree characteristics can seldom be satisfied in one single material.Therefore, it becomes a great challenge for finding an ideal 2D material toovercome such a limitation. In this work, we theoretically predict a novelplanar 2D material: Penta-Pt2N4, which are designed by the fantastic Cariopentagonal tiling as well as the rare nitrogen double bond. Most significantly,the 2D Penta-Pt2N4 exhibits excellent intrinsic properties, including largedirect band gap up to 1.51 eV, high carrier mobility up to 105 cm2V-1s-1, giantYoung's module up to 0.70 TPa, and robust dynamic, thermal and chemicalstability. Moreover, Penta-Pt2N4 is a global minimal with PtN2 stoichiometry in2D, so we also propose a CVD/MBE scheme to enable its experimental synthesis.We envision that the 2D Penta-Pt2N4 may find a wide application for futurenanoelectronics.

Two-dimensional Penta-Pt2N4: an ideal material for nanoelectronics