Structural, mechanical, electronic and optical properties of N-decorated single-walled silicon carbide nanotube photocatalyst for hydrogen evolution via water splitting: a DFT study

• Main Authors: Itas, Yahaya Saadu, Razali, Razif, Tata, Salisu, Mohammed Kolo, Mohammed Kolo, Osman, Hamid, Idris, Abubakr M., Khandaker, Mayeen Uddin
• Format: Article
• Language: English
• Published: Taylor & Francis Group 2023
• Subjects: QC Physics
• Online Access: http://eprints.utm.my/106783/1/RazifRazali2023_StructuralMechanicalElectronicandOptical.pdf; http://eprints.utm.my/106783/; http://dx.doi.org/10.1080/14686996.2023.2271912

This work investigates the fundamental photocatalytic properties of nitrogen-doped single-walled silicon carbide nanotubes (N-doped SWSiCNTs) for hydrogen evolution for the first time. Investigations of the structural, mechanical, electronic, and optical properties of the studied systems were carrie...