| Full text | |
| Author(s): |
Laranjeira, Jose A. S.
;
Martins, Nicolas F.
;
Azevedo, Sergio A.
;
Denis, Pablo A.
;
Sambrano, Julio R.
Total Authors: 5
|
| Document type: | Journal article |
| Source: | COMPUTATIONAL MATERIALS SCIENCE; v. 251, p. 8-pg., 2025-03-01. |
| Abstract | |
In recent years, silicon carbide (SiC) has once again become a target of interest in the materials science community, this time with particular interest in two-dimensional materials, which have attracted attention due to their large surface area and infinitesimal volume. In this sense, this study introduces a novel SiC structure based on the recently reported naphthylene lattice, termed INP-SiC. It compares its electronic, mechanical and vibrational properties with the well-reported biphenylene-like SiC (BPN-SiC) via density functional theory (DFT) simulations. Both monolayers are stable at 300 K and exhibit high electron mobility, with INP-SiC reaching 94.890 102 cm2/V.s. INP-SiC also shows superior mechanical robustness, with Young's modulus (171.65 N/m) comparable to g-SiC (178.02 N/m) and T-SiC (182.22 N/m). Overall, this work is dedicated to showing the INPSiC potential as a multifunctional 2D platform. (AU) | |
| FAPESP's process: | 24/05087-1 - Surface functionalization on the carbide and nitride Mxenes for hydrogen storage |
| Grantee: | Nicolas Ferreira Martins |
| Support Opportunities: | Scholarships in Brazil - Doctorate |
| FAPESP's process: | 22/16509-9 - Computational simulations of heterostructures based on transition metal dichalcogenides, MXenes and new carbon allotropes |
| Grantee: | José Artigas dos Santos Laranjeira |
| Support Opportunities: | Scholarships in Brazil - Doctorate |
| FAPESP's process: | 22/03959-6 - Two-dimensional structures for energy storage and gas sensors: theory aimed at experimentalists and for scientific dissemination |
| Grantee: | Julio Ricardo Sambrano |
| Support Opportunities: | Regular Research Grants |
| FAPESP's process: | 20/01144-0 - Electronic, structural properties of ABO4 compounds (A = Ba, Ca, Cd, Sr and Pb and M = Mo and W) and modeling of morphological transformations of their nanoparticles |
| Grantee: | José Artigas dos Santos Laranjeira |
| Support Opportunities: | Scholarships in Brazil - Master |