Programme

P.40 -- Poster, VCTP-47

Date: Thursday, 4 August 2022

Time: 08:30 - 10:00

Structural, electronic properties of pentagonal PdSe$_2$ nanoribbons: a first-principles calculations

Le Nhat Thanh (1), Le Thi Cam Tu (1), Cao Cam Tu (1), Nguyen Thi Thao Suong (1), and Nguyen Thanh Tien (1)

(1) Department of Physics, College of Natural Sciences, Can Tho University

A first-principle study of the structural diversity and optoelectronic properties of the various edge pentagonal PdSe$_2$ nanoribbons has been performed. In 2017, scientists successfully synthesized the few-layered PdSe$_2$ (FL-PdSe$_2$) 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- PdSe$_2$ 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-PdSe$_2$ nanoribbons (p-PdSe$_2$NRs) using density functional theory (DFT). Herein, we propose a series of new p-PdSe$_2$NRs by cutting p-PdSe$_2$ sheets. Our first-principles calculations show that p-PdSe$_2$NRs are energetically stable, and a semiconductor excludes sawtooth-sawtooth p-PdSe$_2$NR. These findings provide valuable insight into a novel material structure in low-dimensional material systems for potential nanoelectronics.

Presenter: Nguyen Thanh Tien