Flexible, auxetic and strain-tunable two dimensional penta-X₂C family as water splitting photocatalysts with high carrier mobility

Abstract

Penta-X2C (X = P, As and Sb): a novel two dimensional family for photo-catalytic water splitting.

Strain-Tuned Structural, Mechanical and Electronic Properties of Two-Dimensional Transition Metal Sulfides ZrS2: A First Principles Study1

“…The Poisson's ratio of ZrS2 monolayer is somewhat smaller compared to MoS2 monolayer with ν =0.2 [34], which implies a higher potential for the application of ZrS2 monolayer than MoS2 in strain engineering applications. Graphically, the Poisson's ratio in all directions of the ZrS2 monolayer resembles a four-leaf clover, similar to the butterfly-shaped Poisson's ratio of the Penta-X2C family the previous report [35].…”

Silicon diphosphide (SiP2) and silicon diarsenide (SiAs2): Novel stable 2D semiconductors with high carrier mobilities, promising for water splitting photocatalysts

“…In addition, several other 2D materials have been theoretically predicted to exhibit photocatalytic activity for water splitting. [27,28,29,30,31,32,33,34,35,36,37,38,39,40] Binary IV-V compounds with the chemical formulas of IVV (GeP, GeAs, SiP, SiAs), [41,42] IVV2 ,(SiP2 , SiAs2 , GeP2 , GeAs2 ) [43,44,45,32] IVV3 (GeP3 ,SnP3 ), [42,46] and IVV5 (GeP5 ), [47] are emerged as another interesting class of semiconducting 2D materials. Our literature review have shown that IVV, IVV2, and IVV3 compounds exhibit polymorphism.…”

Binary pentagonal auxetic materials for photocatalysis and energy storage with outstanding performances

“…The results exhibit that these two materials show magical mechanical properties and can be used as interesting nano-auxetic materials, such as penta-graphene ( v = −0.068). 16 For verification, 25–28,47–50 we compare the response of NPR materials and PPR materials under different strains. Then, we apply uniaxial strain from −8% to 8% in the x direction to Penta-C 4 P 2 , Penta-C 2 Al 4 , and Penta-C 2 Ga 4 (since their structures coincide in the x and y directions, it is sufficient to consider only one of the directions).…”

“…and Zn/Cd), Penta-X 2 C (X = P, As, Sb), penta carbides, and Penta-PdS 2 . 25–28 In conclusion, these stable pentagonal structures are sure to shine because of their unique electronic properties and potential applications.…”