Programme

P.22 -- Poster, ANSWCCMS-2023

Date: Tuesday, 7 November 2023

Time: 13:00 - 14:30

Structural, electronic properties of pentagonal PdSe2 nanoribbons: a first-principles calculations

Dang Phuc Dam

College of Natural Sciences - Can Tho University

A first-principle study of the structural diversity and optoelectronic properties of the various edge pentagonal PdSe2 nanoribbons has been performed. In 2017, scientists successfully synthesized the few-layered PdSe2 (FL-PdSe2) from bulk crystals, a pentagonal 2D layered noble transition metal dichalcogenide with a puckered morphology that is air-stable. They confirmed that the field-effect transistors made from the FL-PdSe2 display tunable ambipolar charge carrier conduction with a high electron field-effect mobility, indicating the promise of this anisotropic, air-stable, pentagonal 2D material for electronic devices. This work investigated the structural and electronic properties of p-PdSe2 nanoribbons (p-PdSe2 NRs) using density functional theory (DFT). Herein, we propose a series of new p-PdSe2 NRs by cutting p-PdSe2 sheets. Our first-principles calculations show that p-PdSe2 NRs are energetically stable, and a semiconductor excludes sawtooth-sawtooth p-PdSe2 NR. These findings provide valuable insight into a novel material structure in low-dimensional material systems for potential nanoelectronics.

Presenter: Dang Phuc Dam