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Triangulenes are prototypical examples of open-shell nanographenes. Their magnetic properties, arising from the presence of unpaired $\pi$ electrons, can be extensively tuned by modifying their size and shape or by introducing heteroatoms.…

We simulate the twist of carbon nanotubes using atomic molecular dynamic simulations. The ultimate twist angle per unit length and the deformation energy are calculated for nanotubes of different geometries. It is found that the big tube is…

Mesoscale and Nanoscale Physics · Physics 2009-09-21 Zhao Wang , Michel Devel , Bernard Dulmet

The frictional properties of individual carbon nanotubes (CNTs) are studied by sliding an atomic force microscopy tip across and along its principle axis. This direction-dependent frictional behavior is found to correlate strongly with the…

Materials Science · Physics 2015-07-20 Hsiang-Chih Chiu , Beate Ritz , Suenne Kim , Erio Tosatti , Christian Klinke , Elisa Riedo

Graphyne is a planar two-dimensional carbon allotrope formed by atoms in sp, sp2, and sp3 hybridized states. Topologically graphyne nanotubes (GNTs) can be considered as cylindrically rolled up graphyne sheets, similarly as carbon nanotubes…

Mesoscale and Nanoscale Physics · Physics 2015-09-30 Jose M. de Sousa , Gustavo Brunetto , Vitor R. Coluci , Douglas S. Galvao

The method of molecular dynamics and molecular mechanics has been used to numerically simulate the formation of wrinkle systems during compression of a graphene sheet lying on a flat solid substrate. It is shown that under uniaxial…

Mesoscale and Nanoscale Physics · Physics 2024-12-13 Alexander V. Savin , Artem P. Klinov

Recent experiments indicate room-temperature ferromagnetism in graphite-like materials. This paper offers multiple spin state analysis applied to asymmetric graphene molecule to find out mechanism of ferromagnetic nature. First principle…

Mesoscale and Nanoscale Physics · Physics 2011-01-24 Norio Ota , Narjes Gorjizadeh , Yoshiyuki Kawazoe

Growth of carbon nanotubes (CNTs) was performed by atmospheric pressure chemical vapour deposition (APCVD) of propane on Si(111) with a pre-treated Ni overlayer acting as a catalyst. Prior to the growth of CNTs, a thin film of Ni was…

Materials Science · Physics 2019-06-04 J Sengupta , SK Panda , C Jacob

Carbon nanoscrolls (CNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form. Effects of hydrogenation and temperature on the self-scrolling process of two nanoribbons interacting with a…

Materials Science · Physics 2022-08-02 M. L. Pereira Júnior , L. A. Ribeiro Júnior , D. S. Galvão , J. M. De Sousa

The compressive and post-buckling behavior of Ti2C and Ti2CO2 MXene nanosheets is studied using large-scale reactive molecular dynamics simulations. Nanosheets are subjected to uniaxial, biaxial, and shear loads to investigate their…

Materials Science · Physics 2025-12-08 Hossein Darban

In order to accommodate an increasing demand for carbon nanotubes (CNTs) with desirable characteristics one has to understand the origin of helicity of their structures. Here, through in situ microscopy we demonstrate that the nucleation of…

Materials Science · Physics 2014-08-12 Rahul Rao , Renu Sharma , Frank Abild-Pedersen , Jens K. Nørskov , Avetik R. Harutyunyan

Nanometer-sized molecular structures exhibiting mechanical-like switching between discrete states are of great interest for their potential uses in nanotechnology and materials science. Designing such structures and understanding how they…

We use ab initio density functional calculations to study the formation and structural as well as thermal stability of cellular foam-like carbon nanostructures. These systems with a mixed $sp^2/sp^3$ bonding character may be viewed as…

Materials Science · Physics 2015-06-11 Zhen Zhu , David Tománek

We propose and experimentally demonstrate a novel optical method for trapping and cooling dielectric nanospheres at (sub)-micron distances from a reflective metallic surface. By translating a tilted mirror towards the focus of a single-beam…

Interaction between carbon nanomaterials and micellar substrates is studied. A notable observation is the dependence of nano-surface topology on thermodynamic signatures of the carbon nanomaterials e.g., single wall carbon nanotube (SWNT),…

Materials Science · Physics 2015-07-08 Tamoghna Bhattacharyaa , Anjan Kr. Dasgupta

The physics of dynamic friction on water molecule contaminated surfaces is still poorly understood. In line with the growing interest in hydrophobic contact for industrial applications, this paper focuses on friction mechanisms in such…

Soft Condensed Matter · Physics 2022-06-24 Olivier Noël , Pierre-Emmanuel Mazeran , Igor Stanković

Targeting specific technological applications requires the control of nanoparticle properties, especially the crystalline polymorph. Freezing a nanodroplet deposited on a solid substrate leads to the formation of crystalline structures. We…

Soft Condensed Matter · Physics 2018-03-02 Julien Lam , James F. Lutsko

We use a cooled Scanning Probe Microscope (SPM) to electron motion in nanoscale devices. The charged tip of the SPM is raster scanned at a constant height above the surface as the conductance of the device is measured. The image charge…

Mesoscale and Nanoscale Physics · Physics 2017-03-08 Sagar Bhandari , Gil-Ho Lee , Philip Kim , Robert M. Westervelt

Generating spintronic devices has been a goal for the nano-science. We have used density function theory to determine magnetic phases of single layer and bilayer lithium doped graphene nanoflakes. We have introduced graphene flakes as…

Mesoscale and Nanoscale Physics · Physics 2016-02-03 Narjes Kheirabadi

Graphene can develop large magnetic moments in custom crafted open-shell nanostructures such as triangulene, a triangular piece of graphene with zigzag edges. Current methods of engineering graphene nano-systems on surfaces succeeded in…

Nanographite systems, where graphene sheets of the orders of the nanometer size are stacked, show novel magnetic properties, such as, spin-glass like behaviors and the change of ESR line widths in the course of gas adsorptions. We…

Materials Science · Physics 2016-08-31 K. Harigaya
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