相关论文: Interlayer binding energy of graphite -- A direct …
New interlayer intermolecular potential model was proposed and it represented ``ABAB'' staking of graphite. Hydrogen atom sputtering on graphite surface was investigated using molecular dynamics simulation. In the initial short time period,…
We have used calculations based on density functional theory to investigate the energetics of hydrogen absorption in calcium-intercalated graphites. We focus particularly on the absorption energy and the stability of the hydrogenated…
Interlayer tunneling in graphite mesa-type structures is studied at a strong in-plane magnetic field $H$ up to 55 T and low temperature $T=1.4$ K. The tunneling spectrum $dI/dV$ vs. $V$ has a pronounced peak at a finite voltage $V_0$. The…
X-ray photoelectron spectroscopy of graphene is important both for its characterization and as a model for other carbon materials. Despite great recent interest, the intrinsic photoemission of its single layer has not been unambiguously…
We propose a hypothesis that the potential energy surface (PES) of interlayer interaction in diverse 2D materials can be universally described by the first spatial Fourier harmonics. This statement (checked previously for the interactions…
Using the classical molecular dynamics and the semiempirical Brenner's potential, we theoretically study the interlayer sigma bond formation, as cooperative and nonlinear phenomena induced by visible light excitations of a graphite crystal.…
We have studied the magnetic response of two bulk highly oriented pyrolytic graphite (HOPG) samples with different internal microstructure. For the sample with well defined interfaces, parallel to the graphene layers, the temperature and…
We present an extensive study on electrical spectroscopy of graphene ribbons and edges of highly oriented pyrolytic graphite (HOPG) using atomic force microscope (AFM). We have addressed in the present study two main issues, (1) How does…
Interlayer rotation in van der Waals (vdW) materials offers great potential for manipulating phonon dynamics and heat flow in advanced electronics with ever higher compactness and power density. However, despite extensive theoretical…
We have used first-principles methods to investigate how metal atoms dispersed in the interlayer space of graphitic materials affect their hydrogen-binding properties. We have considered ideal stage-one metal-intercalated graphites of…
Using low-energy electron microscopy, we image in real time the intercalation of a cobalt monolayer between graphene and the (111) surface of iridium. Our measurements reveal that the edges of a graphene flake represent an energy barrier to…
The transport properties of highly oriented pyrolitic graphite (HOPG) and polycrystal graphite have been studied. The electric conductivity of HOPG is several times larger than that of the polycrystal graphite. Along with the large…
Carbon materials are attracting increasing attention due to the novelty of the associated physical properties and the potential applications in high-tech devices. The possibility to achieve outstanding properties in macroscopic carbon…
Previous experimental observations for H intercalation under graphene on SiC surfaces motivate clarification of configuration stabilities and kinetic processes related to intercalation. From first-principles density-functional-theory (DFT)…
We present electrical transport measurements in natural graphite and highly ordered pyrolytic graphite (HOPG), comparing macroscopic samples with exfoliated, nanofabricated specimens of nanometer thickness. The latter exhibit a very large…
To obtain an effective many-body model of graphene and related materials from first principles we calculate the partially screened frequency dependent Coulomb interaction. In graphene, the effective on-site (Hubbard) interaction is U_00 =…
We have made thermal and electrical transport measurements of uncompressed pyrolytic graphite sheet (uPGS), a mass-produced thin graphite sheet with various thicknesses between 10 and 100 {\mu}m, at temperatures between 2 and 300 K.…
The market quest for fast-charging, safe, long-lasting and performant batteries drives the exploration of new energy storage materials, but also promotes fundamental investigations of materials already widely used. Presently, revamped…
The interlayer energy of the twisting bilayer graphene is investigated by the molecular mechanics method using both the registry-dependent potential and the Lennard-Jones potential. Both potentials show that the interlayer energy is…
A new approach for determining the binding energies of charged particles, such as ions and electrons, on dielectric surfaces in cryogenic liquids is introduced. The experimental technique outlined in this paper is employed to observe the…