Optoelectronic Properties of Amorphous Carbon-Based Nanotube and Nanoscroll

Abstract

Free-standing monolayer amorphous carbon (MAC) is a pure carbon structure composed of randomly distributed atom rings with different sizes, which was recently synthesized. In this work, we carried out ab initio and tight-binding calculations to investigate the optoelectronic properties of MAC and its derived nanotube and nanoscroll configurations. Our results show MAC, tube, and scrolls exhibit similar electronic behavior. All structures absorb from infrared to ultraviolet, with maximum absorption peaks the visible-ultra violet ($\sim 3.2$ eV). The maximum and minimum reflectivity values are in the range 0.3-0.5 (infrared) and 0.1-0.0 (ultraviolet), making these materials good candidates to ultraviolet filters.

References in corpus (11)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• The SIESTA method for ab initio order-N materials simulation
• Efficient index handling of multidimensional periodic boundary conditions
• Optical properties of graphene
• From Point Defects in Graphene to Two-Dimensional Amorphous Carbon
• Synthesis and properties of free-standing monolayer amorphous carbon
• Amorphized graphene: A stiff material with low thermal conductivity
• Kramers-Kronig, Bode, and the meaning of zero
• A Brief Review on Syntheses, Structures and Applications of Nanoscrolls
• Fermi's golden rule: its derivation and breakdown by an ideal model
• A Structural Insight into Mechanical Strength of Graphene-like Carbon and Carbon Nitride Networks

Cited by in corpus (5)

• A Reactive Molecular Dynamics Study on the Mechanical Properties of a Recently Synthesized Amorphous Carbon Monolayer Converted into a Nanotube/Nanoscroll
• A Concise Review of Recently Synthesized 2D Carbon Allotropes: Amorphous Carbon, Graphynes, Biphenylene and Fullerene Networks
• Self-Folding and Self-Scrolling Mechanisms of Edge-Deformed Graphene Sheets: A Molecular Dynamics Study
• A DFT Study of the Electronic, Optical, and Mechanical Properties of a Recently Synthesized Monolayer Fullerene Network
• Dynamical Formation of Graphene and Graphane Nanoscrolls