相关论文: Interlayer binding energy of graphite -- A direct …
We computed the inter-layer bonding properties of graphite using an ab-initio many body theory. We carried out variational and diffusion quantum Monte Carlo calculations and found an equilibrium inter-layer binding energy in good agreement…
Via a novel experiment, Liu \emph{et al.} [Phys. Rev. B, {\bf 85}, 205418 (2012)] estimated the graphite binding energy, specifically the cleavage energy, an important physical property of bulk graphite. We re-examine the data analysis and…
Reported values (0.2 MPa ~ 7.0 GPa) of the interlayer shear strength (ISS) of graphite are very dispersed. The main challenge to obtain a reliable value of ISS is the lack of precise experimental methods. Here we present a novel…
We report the observation of proximity effect in measurements performed on highly oriented pyrolitic graphite (HOPG) samples when electrical current is injected through the superconducting electrodes placed on the sample surface few…
We investigate the optical properties of bromine intercalated highly orientated pyrolytic graphite (Br-HOPG) and provide a novel interpretation of the data. We observe new absorption features below 620 meV which are absent in the absorption…
Here we report the experimental evidence of the interactions between the excitations of the $\pi\to\pi^*$ optical transition and the image potential states (IPS) of highly oriented pyrolitic graphite (HOPG). By using non-linear angle…
We combine high-level theoretical and \emph{ab initio} understanding of graphite to develop a simple, parametrised force-field model of interlayer binding in graphite, including the difficult non-pairwise-additive coupled-fluctuation…
Recently, holey graphene (HG) has successfully synthesized at atomic precision of hole size and shape. This shows interesting physical and chemical properties for energy and environmental applications. Shaping of the pores also transforms…
It has been reported that graphite hosts room temperature superconductivity. Here we provide new results that confirm these claims on different samples of highly oriented pyrolytic graphite (HOPG) and commercial flexible graphite gaskets…
Diffusion of atomic and molecular hydrogen in the interstitial space between graphite sheets has been studied by molecular dynamics simulations. Interatomic interactions were modeled by a tight-binding potential fitted to density-functional…
The lubricating ability of graphite largely depends on the environmental humidity, essentially the amount of water in between its layers. In general, intercalated molecules in layered materials modify their extraordinary properties by…
The basal plane cleavage energy (CE) of graphite is a key material parameter for understanding many of the unusual properties of graphite, graphene, and carbon nanotubes. The CE is equal to twice the surface energy and is closely related to…
We have studied the interaction of polyaromatic hydrocarbons (PAHs) with the basal plane of graphite using thermal desorption spectroscopy. Desorption kinetics of benzene, naphthalene, coronene and ovalene at sub-monolayer coverages yield…
Far infrared(FIR) data on the optical properties of graphite are presently lacking. An important step towards filling this gap was taken by Kuzmenko et al. (2008) who measured, on HOPG (Highly Oriented Pyrolitic Graphite) at normal…
Molecular hydrogen in the bulk of graphite has been studied by path-integral molecular dynamics simulations. Finite-temperature properties of H_2 molecules adsorbed between graphite layers were analyzed in the temperature range from 300 to…
Adsorption of hydrogen atoms on a single graphite sheet (graphene) has been investigated by first-principles electronic structure means, employing plane-wave based, periodic density functional theory. A reasonably large 5x5 surface unit…
Highly oriented pyrolytic graphite (HOPG) was scribed by pulsed laser beam to produce square patterns. Patterning of HOPG surface facilitates the detachment of graphene layers during contact printing. Direct HOPG-to-substrate and…
Medium-energy ion irradiation is a promising technique for inducing magnetism in materials with partially filled d or f electron bands. This approach enables precise control over the density and spatial distribution of irradiation-induced…
By means of Density Functional Theory calculations we evaluate several lithium carbonate - graphite interface models as a prototype of the Solid Electrolyte Interphase capping layer on graphite anodes in lithium-ion batteries. It is found…
Layered materials have huge potential in various applications due to their extraordinary properties. To determine the interlayer interaction (or equivalently the layer spacing under different perturbations) is of critical importance. In…