Nanoserpents: Graphene Nanoribbon Motion on Two-Dimensional Hexagonal Materials

Ouyang, Wengen; Mandelli, Davide; Urbakh, Michael; Hod, Oded

doi:10.1021/acs.nanolett.8b02848

Cited by 127 publications

(134 citation statements)

References 69 publications

(118 reference statements)

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“…The role of the extra degree of freedom can be played for example by out-of-plane pucking, smaller out-of-plane distortions, distortion in the xq-plane [19], but also by more subtle issues, such as the quality of the contact Figure 6. Force traces (a) and xq-trajectories (b) for a system without a substrate.…”

Section: Discussion Conclusion and Outlookmentioning

confidence: 99%

Understanding the friction of atomically thin layered materials

Andersson

Wijn

2020

Nat Commun

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Friction is a ubiquitous phenomenon that greatly affects our everyday lives and is responsible for large amounts of energy loss in industrialised societies. Layered materials such as graphene have interesting frictional properties and are often used as (additives to) lubricants to reduce friction and protect against wear. Experimental Atomic Force Microscopy studies and detailed simulations have shown a number of intriguing effects such as friction strengthening and dependence of friction on the number of layers covering a surface. Here, we propose a simple, fundamental, model for friction on thin sheets. We use our model to explain a variety of seemingly contradictory experimental as well as numerical results. This model can serve as a basis for understanding friction on thin sheets, and opens up new possibilities for ultimately controlling their friction and wear protection.

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Section: Discussion Conclusion and Outlookmentioning

confidence: 99%

Understanding the friction of atomically thin layered materials

Andersson

Wijn

2020

Nat Commun

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“…Entering into the nanoscale range of tens-of-nanometer extended adsorbates, such as AFM-manipulated graphitic ribbons (reprinted (adapted) with permission from ref. 30 . Copyright (2018) American Chemical Society) and metallic clusters, or rare-gas islands sheared by a quartz-crystal microbalance, interface geometry and incommensurability features rule the frictional response.…”

Section: Openmentioning

confidence: 99%

“…Still focusing on nano-up to mesoscale experimental systems, other works, including nanomanipulation of deposited adsorbates (in the form of nanoclusters and 2D graphite-like patches) [30][31][32][33][34][35][36][37][38][39][40] , telescopic dynamics and water flow in nanotubes and confined geometries [41][42][43] , rare-gas island inertial motion [44][45][46] , sliding colloidal layers and ion-crystal simulators [47][48][49][50][51][52][53] , and transport in quasi-1D Wigner solids 54,55 , have recently uncovered signatures of a superlubric behavior.…”

Section: Commensuratementioning

confidence: 99%

Structural lubricity in soft and hard matter systems

2020

Self Cite

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Over the recent decades there has been tremendous progress in understanding and controlling friction between surfaces in relative motion. However the complex nature of the involved processes has forced most of this work to be of rather empirical nature. Two very distinctive physical systems, hard two-dimensional layered materials and soft microscopic systems, such as optically or topographically trapped colloids, have recently opened novel rationally designed lines of research in the field of tribology, leading to a number of new discoveries. Here, we provide an overview of these emerging directions of research, and discuss how the interplay between hard and soft matter promotes our understanding of frictional phenomena.

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“…At each time step LAMMPS is used to evaluate the forces on the nuclei using an empirical potential and i-PI performs the time integration and thermostatting. The intra and inter layer interactions of the nuclei are described by a Tersoff and a specifically for hBN developed inter layer potential [46,47]. Additionally a shielded Coulomb potential accounts for partial charges as in Ref.…”

Section: Molecular Dynamicsmentioning

confidence: 99%

Efficient and Versatile Model for Vibrational STEM-EELS

Zeiger

Rusz

2020

Phys. Rev. Lett.

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We introduce a novel method for the simulation of the impact scattering in vibrational scanning transmission electron microscopy electron energy loss spectroscopy (STEM-EELS) simulations. The phonon-loss process is modeled by a combination of molecular dynamics and elastic multislice calculations within a modified frozen phonon approximation. The key idea is thereby to use a so-called δ-thermostat in the classical molecular dynamics simulation to generate frequency dependent configurations of the vibrating specimen's atomic structure. The method includes correlated motion of atoms and provides vibrational spectrum images at the cost comparable to standard frozen phonon calculations. We demonstrate good agreement of our method with simulations and experiments for a 15 nm flake of hexagonal boron-nitride (hBN).Excellent spatial resolution is the highlight of the transmission electron microscope [1-6], allowing atomically resolved elemental mapping and chemistry. Recent instrumental developments have improved the energy resolution of electron energy loss spectroscopy down to 4.2 meV [7,8]. This unique combination of high spatial and energy resolution opened doors to unprecedented experiments such as temperature measurement at the nanoscale [9, 10], identification and mapping of isotopically labeled molecules [11], position-and momentum-resolved mapping of phonon modes [12,13], mapping of bulk and surface modes of nanocubes [14], or investigations of the nature of polariton modes in van der Waals crystals [15].Inelastic electron scattering on atomic vibrations in a polar material consists of two major contributions, namely, impact scattering and dipolar scattering [16,17]. The latter stems from a long ranged interaction between the beam electron and an oscillating dipole moment generated by the atomic vibrations. It can be used to perform damage-free vibrational spectroscopy in an aloof beam geometry [18,19]. High-angle impact scattering on the other hand is quite localized scattering on the atomic potential and allows for high resolution imaging and spectroscopy [17,[20][21][22].From a theoretical point of view, there is a limited number of approaches one can follow to simulate vibrational spectroscopy and imaging. Dwyer presents a treatment of both single impact and single dipolar scattering including a detailed phonon dispersion from a density functional theory calculation in a multislice scheme [23]. Forbes et al. introduced a quantum excitation of phonons model, which allows for the inclusion of thermal diffuse scattering into multislice image simulations [24]. The thermal vibrations are modeled within the Einstein model for quick image calculations, neglecting correlations in atomic movements and dispersion effects. Such an approach is not able to simulate vibrational spectra but in principle one could use different models of atomic vibrations to generate the necessary configurations. In a more recent work, Forbes et al. described a method to model the vibrational sector of the electron energy loss spectrum [25...

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Nanoserpents: Graphene Nanoribbon Motion on Two-Dimensional Hexagonal Materials

Cited by 127 publications

References 69 publications

Understanding the friction of atomically thin layered materials

Understanding the friction of atomically thin layered materials

Structural lubricity in soft and hard matter systems

Efficient and Versatile Model for Vibrational STEM-EELS

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