scholarly journals Competition between Self-Folding and Self-Scrolling of Graphene: A Molecular Dynamics Study

2021 ◽  
Author(s):  
Marcelo Lopes Pereira Júnior ◽  
Luiz Antonio Ribeiro Junior
Keyword(s):  
Molecular Dynamics ◽  
Single Layer ◽  
Single Layer Graphene ◽  
Graphene Layers ◽  
Layer Graphene

Graphene-based nanofolds (GNFs) are edge-connected 2D stacked monolayers originated from single-layer graphene. Graphene-based nanoscrolls (GNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form. Both...

The effect of Nanopores Geometry on Desalination of Single-layer Graphene-based Membranes: A Molecular Dynamics Study

2021 ◽  
pp. 116749
Author(s):  
Amirhossein Bagheri Sarvestani ◽  
Alireza Chogani ◽  
Maryam Shariat ◽  
Ali Moosavi ◽  
Hamid Kariminasab
Keyword(s):  
Molecular Dynamics ◽  
Single Layer ◽  
Single Layer Graphene ◽  
Layer Graphene

Zur Kristallchemie von Graphen und Graphit

2009 ◽  
Vol 66 (1) ◽  
pp. 81-83
Author(s):  
M. Trömel
Keyword(s):  
Crystal Structure ◽  
Chemical Properties ◽  
Single Layer ◽  
Single Layer Graphene ◽  
Chemical Bonds ◽  
Graphene Layers ◽  
Layer Graphene ◽  
Closest Packing ◽  
Weak Chemical ◽  
And Chemical Properties

The crystal structure of single-layer graphene in comparison to graphite is discussed with regard to its crystallographic and chemical properties. In both of these polymorphs of carbon, the atomic volume of carbon, reduced to the closest packing of atoms, is practically the same and considerably smaller than in diamond. This indicates pentavalent carbon in graphene as well as in graphite. The observed elastic corrugations of the graphene layers which probably cause their amazing rigidity seem to be due to numerous weak chemical bonds within the layers.

scholarly journals A Molecular Dynamics Study on Wrinkles in Graphene with Simply Supported Boundary under In-Plane Shear

2017 ◽  
Vol 2017 ◽  
pp. 1-10 ◽  
Author(s):  
Jianzhang Huang ◽  
Qiang Han
Keyword(s):  
Molecular Dynamics ◽  
Single Layer ◽  
Single Layer Graphene ◽  
Propagation Process ◽  
Plane Shear ◽  
Simply Supported ◽  
Layer Graphene ◽  
Out Of Plane ◽  
Formation And Evolution ◽  
Dynamics Simulations

The formation and evolution mechanisms of wrinkling in a rectangular single layer graphene sheet (SLGS) with simply supported boundary subjected to in-plane shear displacements are investigated using molecular dynamics simulations. Through investigating the out-of-plane displacements of the key point atom, we clarify the wrinkling growth and propagation process. Our results show that the boundary condition plays important roles in the wrinkling deformation. And the dependence of wrinkling parameters on the applied shear displacements is captured. Based on the elasticity theory, the formation mechanism of graphene wrinkling is revealed from the viewpoint of elastic energy. The effects of aspect ratio of graphene, temperature, and loading velocity on graphene wrinkling parameters and patterns are also investigated.

Wrinkling in Graphene Subjected to Gradient Tension

NANO ◽  
2015 ◽  
Vol 10 (03) ◽  
pp. 1550037 ◽  
Author(s):  
Jianzhang Huang ◽  
Qiang Han
Keyword(s):  
Molecular Dynamics ◽  
Single Layer ◽  
Md Simulations ◽  
Area Ratio ◽  
Single Layer Graphene ◽  
Layer Graphene ◽  
Out Of Plane ◽  
Displacement Direction ◽  
Effects Of Temperature ◽  
Plane Displacement

In the present study, the initiation and evolution mechanisms of wrinkles in a square single layer graphene sheet (SLGS) under gradient tensile displacements are investigated based on molecular dynamics (MD) simulations. The mechanism of wrinkling process is elucidated by studying the atomic out-of-plane displacements development of the key atoms in SLGS. It reveals that the loading and boundary conditions play dominant roles in the wrinkling deformation of graphene. The dependences of the wrinkling amplitude, wavelength, out-of-plane displacement, direction angle and wrinkling area ratio on the applied gradient tensile displacements are obtained. The effects of temperature, size of graphene and loading grads on graphene wrinkling are investigated.

scholarly journals Influence of Different Copper Treatment on the Formation of Single-Layer Graphene by CVD Method

2020 ◽  
Vol 4 (1) ◽  
pp. 14
Author(s):  
Ivan Kondrashov ◽  
Maxim Komlenok ◽  
Pavel Pivovarov ◽  
Sergei Savin ◽  
Elena Obraztsova ◽  
...  
Keyword(s):  
Copper Foil ◽  
Single Layer ◽  
Chemical Vapor ◽  
Copper Surface ◽  
Single Layer Graphene ◽  
Graphene Layers ◽  
Layer Graphene ◽  
Graphene Synthesis ◽  
Number Of Layers ◽  
Optimized Conditions

Chemical vapor deposition synthesis of graphene on copper foil from methane is the most promising technology for industrial production. However, an important problem of the formation of the second and subsequent graphene layers during synthesis arises due to the strong roughness of the initial copper foil. Here we demonstrate the various approaches to prepare a smooth copper surface before graphene synthesis to reduce the formation of multi-layer graphene islands. Six methods of surface processing of copper foils are studied, and the decrease of the roughness from 250 to as low as 80 nm is achieved. The correlation between roughness and the formation of multi-layer graphene is demonstrated. Under optimized conditions of surface treatment, the content of the multi-layer graphene islands drops from 9% to 2.1%. The quality and the number of layers of synthesized graphene are analyzed by Raman spectroscopy, scanning electron microscopy, and measurements of charge mobility.

scholarly journals DNA Detection Using Programmed Bilayer Nanopores

2018 ◽  
Author(s):  
Ramkumar Balasubramanian ◽  
Sohini Pal ◽  
Himanshu Joshi ◽  
Banani Chakraborty ◽  
Akshay Naik ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Single Layer ◽  
Dna Origami ◽  
Single Layer Graphene ◽  
Specific Interactions ◽  
Residence Times ◽  
Dna Translocation ◽  
Pore Region ◽  
Layer Graphene ◽  
Dynamics Simulations

<p>Pore-functionalization has been explored by several groups as a strategy to control DNA translocation through solid-state nanopores. Here we present a hybrid nanopore system consisting of single-layer graphene and a DNA origami layer to achieve base-selective control of DNA translocation rate through aligned nanopores of the two layers. This is achieved by incorporating unpaired dangling bases called overhangs to the origami near the pore region. Molecular dynamics simulations were used to optimize the design of the origami nanopore and the overhangs. Specifically, we considered the influence of the number and spatial distribution of overhangs on translocation times. The simulations revealed that specific interactions between the overhangs and the translocating single stranded DNA resulted in base-specific residence times. <b></b></p>

scholarly journals Preparation of Copper Surface for the Synthesis of Single-Layer Graphene

Nanomaterials ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 1071
Author(s):  
Ivan Kondrashov ◽  
Maxim Komlenok ◽  
Pavel Pivovarov ◽  
Sergey Savin ◽  
Elena Obraztsova ◽  
...  
Keyword(s):  
Copper Foil ◽  
Single Layer ◽  
Chemical Vapor ◽  
Copper Surface ◽  
Single Layer Graphene ◽  
Graphene Layers ◽  
Layer Graphene ◽  
Additional Layer ◽  
Graphene Synthesis ◽  
Few Layer Graphene

Chemical vapor deposition synthesis of graphene on copper foil from methane is the most promising technology for industrial production. However, an important problem of the formation of the additional graphene layers during synthesis arises due to the strong roughness of the initial copper foil. In this paper, various approaches are demonstrated to form a smooth copper surface before graphene synthesis to reduce the amount of few layer graphene islands. Six methods of surface processing of copper foils are studied and the decrease of the roughness from 250 to as low as 80 nm is achieved. The correlation between foil roughness and the formation of the additional layer is demonstrated. Under optimized conditions of surface treatment, the content of the additional graphene layer drops from 9 to 2.1%. The quality and the number of layers of synthesized graphene are analyzed by Raman spectroscopy, scanning electron microscopy and measurements of charge mobility.

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