Unveiling the Superiority of naphthylene over biphenylene in silicon carbide 2D Architectures
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 in...
| Autores: | , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2025 |
| País: | Brasil |
| Institución: | Universidade Estadual Paulista (UNESP) |
| Repositorio: | Repositório Institucional da UNESP |
| Idioma: | inglés |
| OAI Identifier: | oai:repositorio.unesp.br:11449/299945 |
| Acceso en línea: | http://dx.doi.org/10.1016/j.commatsci.2025.113743 https://hdl.handle.net/11449/299945 |
| Access Level: | acceso abierto |
| Palabra clave: | 2D Biphenylene Naphthylene SiC Silicon carbide 2d Carbide structure Large surface area Material science Science community Structure-based Targets of interest Two-dimensional materials |
| Sumario: | 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 INP-SiC potential as a multifunctional 2D platform. |
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