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Kỷ yếu hội nghị quốc tế 2021
Số tạp chí (2021) Trang: 293
Tạp chí: Hội nghị Vật lý Chất rắn và Khoa học Vật liệu Toàn quốc – SPMS 2021-Tháng 08/2022-Đại học Cần Thơ
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In 2015, a new two-dimensional carbon allotrope named penta-graphene (PG), was reported as metastable based
on theoretical calculations. This means that PG represents a local minimum in the potential energy surface and it
sustains binding energy slightly less negative than the ones displayed by graphite and diamond. PG is formed by
pentagonal rings of carbon atoms with sp
2 or sp3 hybridization, and they are organized in a pattern known as Cairo
pentagonal tiling. In addition, PG was obtained experimentally from the exfoliation of the T12-carbon phase. In
2017, a group of scientists successfully synthesized the few-layered PdSe
2 (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- 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. In this work, we investigated the structural and electronic properties
of p-PdSe
2 nanoribbons (p-PdSe2NRs) using density functional theory (DFT). Herein, we propose a series of new
p-PdSe
2NRs by cutting p-PdSe2 sheets. Our first-principles calculations show that such p-PdSe2NRs are
energetically stable and a semiconductor excludes sawtooth-sawtooth p-PdSe
2NR. These findings provide useful
insight into a novel material structure in low-dimensional material systems for potential nanoelectronics.

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