A comparison study of the structural, electronic and electronic transport properties of nanoribbons based on Penta-graphene, Penta-P2C and Penta-SiC2. (August 2022)

• Record Type: Journal Article
• Authors: Mi, Tran Yen; Huy, Huynh Anh; Tien, Nguyen Thanh
• Is Part Of: Materials today communications. Volume 32(2022)
• Publication Date: 2022-08
• Subjects: PG-SS -- p-P2C-SS -- P-siC2-SS -- sp2-hybridized atoms -- Structural properties -- Electronic properties -- Electronic transport properties; Materials science -- Periodicals; 620.11
• DOI: 10.1016/j.mtcomm.2022.103912
• Languages: English
• ISSNs: 2352-4928

Abstract

Abstract: A comparison study of the structural, electronic and electronic transport properties of the three proposed sawtooth edge nanoribbon materials based on Penta-graphene, p-P2 C and p-SiC2, i.e. PG-SS, p-P2 C-SS and p-SiC2 -SS is done. While these systems are the same in sawtooth-edges with dangling bond atoms neutralized by H ones, in atomic lines number and their precursor models pose P-421m symmetry, their geometry structures differ mainly at boundaries and their buckles are increased compared with the corresponding precursor structures because of the quantum confinement effect. Both the electronic and electronic transport properties of these systems depend strongly on the sp 2 -hybridized atoms. In particular, we find out their special electronic characteristic is that conduction band minimum states are mainly contributed by sp 2 -hybridized atoms not located at edges. Moreover, in the case of electronic transport properties, we strongly believe that the more valence electrons are concentrated at atoms, the lower the transmission of these systems decreases, especially for sp 2 -hybridized atoms. Graphical abstract: Highlights: The structural, electronic and transport properties of the three sawtooth edge nanoribbons based on PG, p-P 2 C and p-SiC 2 are comparable studied. Their edges and buckling differ with precursor structures, leading to different electronic properties. Both the electronic and electronic transport properties of these systems depend strongly on the sp 2 -hybridized atoms. The more valence electrons are concentrated at atoms, the lower the transmission of these systems decreases, especially for sp 2 -hybridized atoms.