First-Principles Study of Monolayer penta - CoS2 as a Promising Anode Material for

A penta-BCP sheet with strong piezoelectricity and a record high positive Poisson's ratio

“…4 To overcome this problem, pentagons are used to construct 2D materials. Since the theoretical prediction of penta-graphene in 2015, 5 2D materials composed of pure pentagonal motifs have attracted much attention, [6][7][8][9][10] and some pentagon-based 2D materials have been experimentally synthesized, including penta-silicene nanoribbons, 11 penta-PdSe 2 , 12 and penta-NiN 2 . 4 Numerous penta-sheets can exhibit exceptional piezoelectric properties.…”

Magnesene: a theoretical prediction of a metallic, fast, high-capacity, and reversible anode material for sodium-ion batteries

“…Anode materials should be composed of non-toxic and naturally abundant constituent elements and achieve a balance among excellent electrical conductivity, high specific capacity, fast charging rate, and moderate OCV. The Na diffusion barriers of α-magnesene are comparable to those of some high-performance anodes, such as TiS 2 , 8 GeS, 9 CoS 2 , 11 TiC 3 , 18 and BP. 24 Although α-magnesene has a smaller specific capacity than GaN, 13 GeP 3 , 14 and PC 3 , 16 its intrinsic metallicity ensures excellent electrical conductivity.…”

Stability, electronic and magnetic properties of the penta-CoAsSe monolayer: a first-principles and Monte Carlo study

“…The structure of monolayer CoAsSe is initially designed based on the geometry of the 2D Penta-CoS 2 1,7 by substituting S with As and Se atoms. The geometry of the CoAsSe monolayer is formed by a network of pentagons, where each pentagon unit consists of two Co atoms and three As/Se atoms.…”

“…Very recently, a new class of 2D materials based on a pentagonal structure have been discovered, and since the design of Penta-graphene and due to the attractiveness of this specific structure, some similar 2D materials have been reported. 1,7–9 This new allotrope successfully predicted using first-principles calculations has great potential for application in many fields such as electronics, optoelectronics and catalysis. Penta-BCN displays high spontaneous polarization and prominent piezoelectricity making it a good candidate for technological applications.…”