The stability, electronic and optical properties of possible two-dimensional (2D) Li₂S monolayer with orthorhombic atomic configuration denoted as O-Li₂S monolayer is theoretically investigated. It is shown that the proposed 2D O-Li₂S monolayer shows exhibits the space group of 59_Pmmn and is energetically and kinetically stable. Our electronic properties computations indicate that 2D Li₂S monolayer is a wide band gap (WBG) semiconductor material with a strain tunable direct band gap of 4.13 eV obtained from HSE06 level of theory. Calculating its optical properties show that this newly designed 2D O-Li₂S monolayer has high absorption property in ultra violet region of light.

理论上研究了可能的具有正交原子构型的二维（2D）Li ₂ S单层的稳定性，电学和光学性质，表示为O-Li ₂ S单层。结果表明，拟议的二维O-Li ₂ S单分子膜展示了59_Pmmn的空间群，在能量和动力学上都稳定。我们的电子性能计算表明，二维Li ₂ S单层是一种宽带隙（WBG）半导体材料，从HSE06理论水平获得的应变可调直接带隙为4.13 eV。计算其光学性能表明，这种新设计的2D O-Li ₂ S单层在紫外光区域具有高吸收性能。