Two-dimensional （2D） materials are highly promising for flexible electronics, and graphene is the only well-studied transparent conductor. Herein, density functional theory has been used to explore a new transparent...Two-dimensional （2D） materials are highly promising for flexible electronics, and graphene is the only well-studied transparent conductor. Herein, density functional theory has been used to explore a new transparent conducting material via adsorption of H on a 2D β-GaS sheet. This adsorption results in geometrical changes to the local structures around the H. The calculated electronic structures reveal metallic characteristics of the 2D α-GaS material upon H adsorption and a large optical band gap of 2.72 eV with a significant Burstein-Moss shift of 0.67 eVo The simulated electrical resistivity is as low as 10^-4 Ω.cm, comparable to the benchmark for ITO thin films.展开更多
基金This work was financially supported by National University of Singapore, Ministry of Education of Singapore, Ministry of Defence of Singapore, National Research Foundation of Singapore and National Natural Science Foundation of China （Nos. 21233006 and 21473164）.
文摘Two-dimensional （2D） materials are highly promising for flexible electronics, and graphene is the only well-studied transparent conductor. Herein, density functional theory has been used to explore a new transparent conducting material via adsorption of H on a 2D β-GaS sheet. This adsorption results in geometrical changes to the local structures around the H. The calculated electronic structures reveal metallic characteristics of the 2D α-GaS material upon H adsorption and a large optical band gap of 2.72 eV with a significant Burstein-Moss shift of 0.67 eVo The simulated electrical resistivity is as low as 10^-4 Ω.cm, comparable to the benchmark for ITO thin films.
