The structural, electronic, and optical properties of hydrogenated silicene have been investigated using first-principles DFT calculations. Compared to pristine silicene, hydrogenated silicene exhibits high stability, reduced anisotropy, and less birefringence. Hydrogenated silicene shows a constant refractive index in the visible region, increasing exponentially in silicene. The elastic and optical parameters such as Young's modulus (Y), Poisson's ratio (ν), bulk modulus (B), shear modulus (G), dielectric constant ε(0), refractive index n(0), conductivity threshold (E), birefringence Δn(0), and plasmon energy (ħω) were calculated for the first time for different hydrogen coverage on silicene, which is crucial in the applications of linear and non-linear optoelectronic devices. The estimated parameters agree well with the available experimental and reported values.
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December 2024
Istituto per la Microelettronica e Microsistemi, Consiglio Nazionale delle Ricerche, Sede di Agrate Brianza, Via C. Olivetti 2, Agrate Brianza, I-20864, Italy.
Silicene, the analog of graphene composed of silicon atoms arranged in a honeycomb lattice, has garnered significant attention due to its unique properties, positioning it as a promising candidate for various applications in electronic devices, photovoltaics, photocatalysis, and biomedicals. While the chemical synthesis of silicene nanosheets has traditionally involved time-spending and expensive- methods, this study introduces a rapid vacuum/nitrogen cycle assisted (VANS) protocol that dramatically speeds up the production of silicene. The strategic implementation of vacuum/nitrogen cycles provides the efficient removal of the generated hydrogen, boosting the overall reaction kinetics while maintaining inert reaction conditions to prevent oxidation.
View Article and Find Full Text PDFSci Rep
November 2024
Department of Physics, Mehr Chand Mahajan DAV College for Women, Sector 36, Chandigarh, 160036, India.
In recent years, Silicene has attracted great interest in various fields but does not fit well in the field of thermoelectrics due to the absence of electronic band gap. Nevertheless, hydrogenation of silicene (SiH) delocalize the free electrons and induces gap widening (2.19 eV), but its thermoelectric performance is still limited due to the larger band gap.
View Article and Find Full Text PDFAdv Sci (Weinh)
June 2024
Department of Inorganic Chemistry, University of Chemistry and Technology Prague, Technická 5, Prague 6, 16628, Czech Republic.
The adjustable structures and remarkable physicochemical properties of 2D monoelemental materials, such as silicene and germanene, have attracted significant attention in recent years. They can be transformed into silicane (SiH) and germanane (GeH) through covalent functionalization via hydrogen atom termination. However, synthesizing these materials with a scalable and low-cost fabrication process to achieve high-quality 2D SiH and GeH poses challenges.
View Article and Find Full Text PDFExploration (Beijing)
August 2023
An ideal implant needs to have the ability to coordinate the foreign body response and tissue regeneration. Here, Hydrogenated-silicon nanosheets (H-Si NSs) with favorable biodegradability are integrated and functionalized into a β-tricalcium phosphate scaffold (H-Si TCP) for bone defect healing. H-Si TCP can greatly improve bone regeneration through osteoimmunomodulation-guided biodegradation in vivo.
View Article and Find Full Text PDFPhys Chem Chem Phys
September 2023
Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Apartado Postal 70-360, CU, Coyoacán, 04510 Ciudad de Mexico, Mexico.
We propose a novel 2D material based on silicon haeckelite (Hck), whose structure contains a silicon atom arranged in a periodic pattern of pentagons and heptagons. Stacking the two layers gives rise to a planar geometry of the layers that compose it. This new structure presents a semiconductor character with a band gap of 0.
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