Related papers: Computational investigation of the temperature inf…
Graphene stands as a promising material with vast potential across energy storage, electronics, etc. Here, we present a novel mechanical approach utilizing ultrasonic high-energy intercalation exfoliation to extract monolayer graphene from…
Excess conductance fluctuations with peculiar temperature-dependence from 1.4 to 250 K were observed in curved nano-graphite sheets with an electrode gap length of 300 and 450 nm, whereas the conductance fluctuation is greatly suppressed…
We investigate the reflectance of a dielectric plate coated with a graphene sheet which possesses the nonzero energy gap and chemical potential at any temperature. The general formalism for the reflectance using the polarization tensor is…
We investigate the photocatalytic performance of nanocomposites prepared in a one-step process by liquid-phase exfoliation of graphite in the presence of TiO$_2$ nanoparticles (NPs) at atmospheric pressure and in water, without heating or…
In this work, we investigate thermoelectric properties of junctions consisting of two partially overlapped graphene sheets coupled to each other in the cross-plane direction. It is shown that because of the weak van-der Waals interactions…
The conductance through a quantum point contact created by a sharp and hard metal tip on the graphite surface has features which to our knowledge have not been encountered so far in metal contacts or in nanowires. In this paper we first…
Nanocluster impact on a free-standing graphene is performed by the molecular dynamics simulation, and the dynamical motion of the free-standing graphene is investigated. The graphene is bended by the incident nanocluster, and a transverse…
The atomic structure of nanomaterials is often studied using transmission electron microscopy. In addition to image formation, the energetic electrons may also cause damage while impinging on the sample. In a good conductor such as graphene…
The detailed nature of spatially heterogeneous dynamics of glycerol-silica nanocomposites is unraveled by combining dielectric spectroscopy with atomistic simulation and statistical mechanical theory. Analysis of the spatial mobility…
A disorder-order transition from amorphous carbon (aC) to layered amorphous graphene (LAG) has been predicted using ab-initio methods. Amorphous carbon at densities close to the graphitic density show a strong proclivity to layer in NVT…
We investigate decoherence of an electron in graphene caused by electron-flexural phonon interaction. We find out that flexural phonons can produce dephasing rate comparable to the electron-electron one. The problem appears to be quite…
We describe the results of atomic-level stick-slip friction measurements performed on chemically-modified graphite, using atomic force microscopy (AFM). Through detailed molecular dynamics simulations, coarse-grained simulations, and…
Molecular dynamic (MD) simulations are applied to investigate the dependency of the kinetic friction coefficient on the temperature at the nano-scale. The system is comprised of an aluminum spherical particle consisting of 32000 atoms in an…
We present an approach to the melting of graphene based on nucleation theory for a first order phase transition from the 2D solid to the 3D liquid via an intermediate quasi-2D liquid. The applicability of nucleation theory, supported by the…
We have studied magnetization of graphene nanocrystals obtained by sonic exfoliation of graphite. No ferromagnetism is detected at any temperature down to 2 K. Neither do we find strong paramagnetism expected due to the massive amount of…
The influence of nanostructuring and quantum confinement on the thermoelectric properties of materials has been extensively studied. While this has made possible multiple breakthroughs in the achievable figure of merit, classical…
We study the behavior of hydrated graphite oxide (GO) at high temperatures using thermally accelerated molecular dynamics simulations based on ab initio density functional theory. Our results suggest that GO, a viable candidate for water…
The thermal conductivity of graphene nanoribbons (layer from 1 to 8 atomic planes) is investigated by using the nonequilibrium molecular dynamics method. We present that the room-temperature thermal conductivity decays monotonically with…
A two-dimensional scandium monochloride sheet was investigated by using density functional theory. It could be exfoliated from a known bulk material with a cleavage energy slightly lower than that of graphene. The sheet has a ferromagnetic…
The ultra-low kinetic friction F_k of 2D structurally superlubric interfaces, connected with the fast motion of the incommensurate moir\'e pattern, is often invoked for its linear increase with velocity v_0 and area A, but never seriously…