Research progress on the theory of silicon carbon graphene from Fujian Institute of Materials Science and Technology

Research progress on the theory of silicon carbon graphene from Fujian Institute of Materials Science and Technology

Graphene, a two-dimensional material made entirely of carbon atoms arranged in a hexagonal lattice, has captured the attention of scientists worldwide due to its remarkable properties. It exhibits exceptional thermal conductivity, extremely low electrical resistivity, and rapid electron mobility, making it a promising candidate for next-generation electronic devices such as transistors, transparent touchscreens, and light-emitting panels.

However, one major limitation of graphene is its semi-metallic nature, with an energy gap of 0 eV, which makes it unsuitable for applications in thermoelectric or solar cell materials. To overcome this, researchers have explored various methods, including structural modifications and doping, to increase the bandgap of graphene and expand its potential use in optoelectronic devices.

Despite significant interest in carbon-based and silicon-based two-dimensional nanomaterials, there remains a lack of materials that exhibit a moderate bandgap (1–2 eV) and are independent of chirality or size. This gap in research has motivated scientists to explore new possibilities in the field.

Recently, a team led by Dr. Wu Liming from the National Key Laboratory of Structural Chemistry at the Fujian Institute of Materials Science, Chinese Academy of Sciences, made a breakthrough. Supported by projects from the National Natural Science Foundation of China, they successfully combined global particle swarm optimization with first-principles calculations to predict a novel two-dimensional material: silicon carbon graphene (g-SiCâ‚‚) with an energy gap of 1.09 eV.

This material consists of sp²-hybridized carbon and silicon atoms, with a binding energy of 0.41 eV per atom. It represents the global minimum on the potential energy surface, making it more stable than the known isomer pt-SiC₂, which contains sp³ hybridized silicon atoms. The predicted melting point of g-SiC₂ ranges between 3000 and 3500 K, and the energy gap of its nanotube derivatives remains constant regardless of chirality or size, indicating strong stability and broad application potential.

The findings were published in the prestigious journal *Nano Letters*. This study not only advances the understanding of two-dimensional carbon-based materials but also offers a valuable theoretical framework for future research on structural modification and bandgap engineering in nanomaterials.

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