Electronic, thermoelectric and electrical transport properties of single layer γ-graphyne

Recently, graphyne has emerged as the sole two-dimensional carbon material exhibiting both sp and sp 2 hybridization. It's remarkable attributes have ignited considerable interest, particularly in the realm of optoelectronics, driven by its narrow band gap, signifying its vast potential in this field. In this paper we investigated electronic, thermoelectric and electrical transport properties of single layer gamma-graphyne systematically and comparatively by using density functional theory (DFT). Our findings reveal that gamma-graphyne displays pronounced absorption peaks within both the infrared (IR) and visible regions (VR), indicating its robust optical characteristics. Additionally, gamma-graphyne showcases exceptional thermoelectric performance. The insights gained from this study elucidate the properties of gamma-graphyne and suggest its applicability across various domains, including optical sensing and thermoelectric energy conversion devices.