Investigation on the electrical and photocatalytic properties of t-stanagraphene and SnC-graphene

• Published in: Materials science in semiconductor processing Vol. 182; p. 108647
• Main Authors: Oudahman, M., Houmad, M., Masrour, R., Rezzouk, A.
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01.11.2024
• Subjects: DFT; Electronic band gap; Photocatalysis; Semiconductor and electrical conductivity; Stanagraphene; Semiconductor and electrical conductivity; DFT; Photocatalysis; Stanagraphene; Electronic band gap
• ISSN: 1369-8001; 1873-4081
• DOI: 10.1016/j.mssp.2024.108647

Photocatalysis, an advanced technique that converts solar energy into chemical energy, can address environmental issues and energy scarcity. 2D-materials, with their unique two-dimensional structure and large surface area, have significant potential for photocatalysis due to their flexible composition, transforming solar energy with exceptional efficiency. We performed a computational study in this paper, which suggests that two-dimensional stanagraphene will eventually be produced. Using density functional theory (DFT) calculations performed in the wien2k code, the stability dynamical, photocatalytic, electronic, and optical properties of two monolayer types of stana-graphene (t-SnC and g-SnC) have been investigated. These monolayers are a semiconductor with indirect band gaps (between ℾ & ℕ vectors) and direct for t-SnC and g-SnC, according to electronic property research. This research also demonstrated that stanagraphene absorbs visible solar light. In addition, the charge density of stanagraphene was evaluated to establish the charge density distribution between atoms. Another significant advancement is that the photocatalytic activity of these compounds shows that t-stanagraphene is a suitable photocatalysis material.