Theoretical Prediction of an Antimony-Silicon Monolayer $$(\hbox {penta-Sb}_{2}\hbox {Si})$$(penta-Sb2Si): Band Gap Engineering by Strain Effect

Transport and thermoelectric properties of penta-Sb2X monolayers

“…30 Recently, a new layered pentagonal structure material, Sb 2 Si was identified and proposed to have potential applications in optoelectronic devices. 31 One may note that in addition to its favorable optoelectronic behavior, Sb may show lone pair behavior in this structure, which might both reduce thermal conductivity and favor high mobility, 32 favoring good thermoelectric performance. Therefore, we consider pentagonal structure Sb-based compounds including Sb 2 Si, Sb 2 Ge and Sb 2 Sn as potential thermoelectric materials.…”

Penta-MP5 (M = B, Al, Ga, In) monolayers as high-performance photocatalysts for overall water splitting

“…Due to its special atomic configuration, penta-graphene has unusual properties such as negative Poisson's ratio and ultrahigh ideal strength. Following penta-graphene, many new 2D materials with pentagonal configurations have been proposed, such as penta-X 2 C (X = P, As, and Sb), 62,63 penta-SiC 5 , 64 penta-CdS 2 , 65 penta-Sb 2 Si, 66 and penta-P 2 X (X = C, Si), 67 penta-PdPSeX (X = O, S, Te). 68 Computation results from first-principles calculations indicate that these penta-structure materials possess excellent electronic properties and have potential applications in optoelectronic devices.…”