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Geometrical structures, and electronic and transport properties of a novel two-dimensional β-GaS transparent conductor
Nano Research 2015, 8 (10): 3177-3185
Published: 16 July 2015
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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 β-GaS material upon H adsorption and a large optical band gap of 2.72 eV with a significant Burstein-Moss shift of 0.67 eV. The simulated electrical resistivity is as low as 10–4 Ω·cm, comparable to the benchmark for ITO thin films.

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