Armchair Janus MoSSe Nanoribbon with Spontaneous Curling: A First-Principles Study

Armchair Janus MoSSe Nanoribbon with Spontaneous Curling: A First-Principles Study

Based on density functional theory, we theoretically investigate the electronic structures of free-standing armchair Janus MoSSe nanoribbons (A-MoSSeNR) with width up to 25.5 nm. The equilibrium structures of nanoribbons with spontaneous curling are obtained by energy minimization in molecular dynam...

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Bibliographic Details
Main Authors: Naizhang Sun, Mingchao Wang, Ruge Quhe, Yumin Liu, Wenjun Liu, Zhenlin Guo, Han Ye
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:Nanomaterials
Subjects:
Janus TMD nanoribbon
nanotube
spontaneous curling
density functional theory
molecular dynamics
Online Access:https://www.mdpi.com/2079-4991/11/12/3442

Internet

https://www.mdpi.com/2079-4991/11/12/3442

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