Two-dimensional ZnI2 monolayer as a photocatalyst for water splitting and improvement its electronic and optical properties by strains

Effect of Tensile Strain on Performance Parameters of Different Structures of MoS2 Monolayer

“…The high absorption coe cient value is the remarked property of the MoX 2 monolayer which makes these materials best for optoelectronics applications. A. O. M. Almayyali et al, [33] have investigated the optical and electronics of zinc iodide (ZnI 2 ) material under the impact of the biaxial strain. For the ZnI 2 material-based calculation of molecular dynamic simulations, binding energy, and phonon dispersion curve it has been observed that the ZnI 2 has high stability.…”

Two-dimensional penta-like PdPSe with a puckered pentagonal structure: a first-principles study

“…Two-dimensional (2D) materials have drawn much interest in recent years due to their superb optoelectronic, mechanical, and magnetic properties, extremely high surface areas, and narrow thickness at the nanoscale. [1][2][3][4][5] It is well known that graphene is one of the most promising types of 2D materials thanks to its excellent Young's modulus and carrier mobility. [6][7][8] However, the absence of a bandgap in graphene greatly limits its application in electronic device applications.…”

“…Very recently, 2D puckered penta-PdPSe with a new low-symmetry pentagonal arrangement was experimentally exfoliated by Li et al 43 Surprisingly, Se and P atoms form an unusual [Se–P–P–Se] 4 − polyanion, which is currently the largest polyanion in a 2D system. The robust intrinsic anisotropy of the penta-PdPSe leads to unusual electronic and optical properties.…”

Halogenation as a novel scheme for enhanced photocatalytic activity in AlSb monolayers: a first-principles study

“…13 Substitutional doping has been reported to enable superior photocatalytic water splitting in halogen-C 3 N 4 , 14 (Mo,P)-SrTiO 3 , 15 and Eu-Bi 2 WO 6 . 16 Various 2D nanomaterials have been proposed to enhance the process of photocatalysis, such as GaAs, 17 C 3 PN, 18 C 3 N 2 , 18 SrTiO 3 , 15 ZnI 2 , 19 and boron pnictides. 20 These materials have shown great promise in this field.…”

“…Various 2D nanomaterials have been proposed to enhance the process of photocatalysis, such as GaAs, 17 C 3 PN, 18 C 3 N 2 , 18 SrTiO 3 , 15 ZnI 2 , 19 and boron pnictides. 20 These materials have shown great promise in this field.…”