E3S Web Conf.
Volume 236, 20213rd International Conference on Energy Resources and Sustainable Development (ICERSD 2020)
|Number of page(s)||4|
|Section||Development, Utilization and Protection of Traditional Energy Resources|
|Published online||09 February 2021|
Telluride Te2I: Electronic properties of one-dimensional atomic chains structure
1 College of Electronic and Optical Engineering, Nanjing University of Posts and Telecommunications, Nanjing, Jiangsu, 210023, China
1 Corresponding author:email@example.com
Semiconductor tellurium is an excellent performance material, tellurium and its compounds have been extensive researched in the low-dimensional field. Inspired by the synthesis of a one-dimensional tellurium atomic chains, we predict a new one-dimensional Te2I single-atomic chain structure based on firstprinciples. Using first-principles calculations, Te2I single-atomic chain has an exfoliated energy of 137.95 meV, suggesting that the exfoliation of atomic chains materials from the bulk phase could be feasible. The single-atomic chain structure is an indirect band gap semiconductor with a band gap of 1.51 eV. In addition, its dynamic and thermodynamic properties indicate that the structure is stable at room temperature. Remarkably, it exhibits good electronic conductivity and a large difference in electron and hole mobilities, indicating that it is favorable for the migration and separation of photogenerated carriers. The absorption spectrum of one-dimensional Te2I single-atomic chain exhibits a strong light-harvesting ability in the ultraviolet region, suggesting its potential application in optoelectronic devices
© The Authors, published by EDP Sciences 2021
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