Related papers: Thermal decomposition of hydrated graphite oxide: …
We calculate the electronic structure and magnetic properties of hydrogenated graphite surfaces using van der Waals density functional theory (DFT) and model Hamiltonians. We find, as previously reported, that the interaction between…
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…
This study describes computer simulations of carbonization and graphite formation, including the effects of hydrogen, nitrogen, oxygen, and sulfur. We introduce a novel technique to simulate carbonization, "Simulation of Thermal Emission of…
Energy storage devices with liquid_metal electrodes have attracted interest in recent years due to their potential for mechanical resilience, self_healing, dendrite_free operation, and fast reaction kinetics. Gallium alloys like Eutectic…
Understanding the interactions of ambient molecules with graphene and adjacent dielectrics is of fundamental importance for a range of graphene-based devices, particularly sensors, where such interactions could influence the operation of…
The freshwater crisis is a growing concern and a pressing problem for the world because of the increasing population, civilization, and rapid industrial growth. The water treatment facilities are able to supply less than 1% of the total…
Thermal fluctuations of single layer hydrogenated graphene (graphane) are investigated using large scale atomistic simulations. By analyzing the mean square value of the height fluctuations $<h^2>$ and the height-height correlation function…
Highly Oriented Pyrolytic Graphite was exfoliated via pulsed discharge plasma in liquid nitrogen. The potential mechanisms involved were investigated by observing the treated surface of the graphitic material and the obtained particles.…
Two-dimensional metal oxides play an important role in electronics and optoelectronics, and it is still a challenge to obtain thin oxides film. Here, a fluidic exfoliation method is applied to synthesis the metal oxides film by using…
[Abridged] Observations of protoplanetary disks suggest that they are depleted in gas-phase CO. It has been posed that gas-phase CO is chemically consumed and converted into less volatile species through gas-grain processes. Observations of…
Graphene as a single-atomic-layer material is fully exposed to environment and has therefore a great potential for creating of sensitive gas sensors. However, in order to realize this potential for different polluting gases, graphene has to…
In nature adaptive coloration has been effectively utilized for concealment and signaling. Various biological mechanisms have evolved that can tune the reflectivity for visible and ultraviolet light. These examples inspire many artificial…
Graphene is well known for its extraordinary mechanical properties combining brittleness and ductility. While most mechanical studies of graphene focused on the strength and brittle fracture behavior, its ductility, plastic deformation, and…
Thermal properties of suspended single-layer graphene membranes are investigated by characterization of their mechanical motion in response to a high-frequency modulated laser. A characteristic delay time $\tau$ between the optical…
We present a comprehensive investigation of the low-temperature heat capacity of thermally reduced graphene oxide (trGO) as a function of compaction pressure and annealing temperature. Graphene oxide was synthesized using a modified Hummers…
Based on density functional calculations, optimized structures of graphite oxide are found for various coverage by oxygen and hydroxyl groups, as well as their ratio corresponding to the minimum of total energy. The model proposed describes…
The results of density functional theory calculations and measurements using X-ray photoelectron spectroscopy of Co-nanoparticles dispersed on graphene/Cu are presented. It is found that for low cobalt thickness (0.02 nm - 0.06 nm) the Co…
Single particle dynamics of water confined in a nanopore is studied through Computer Molecular Dynamics. The pore is modeled to represent the average properties of a pore of Vycor glass. Dynamics is analyzed at different hydration levels…
In this paper, we study a system of thermoelasticity with a degenerated second order operator in the Heat equation. We analyze the evolution of the energy density of a family of solutions. We consider two cases: when the set of points where…
The hydration of magnesium oxide (MgO) to magnesium hydroxide (Mg(OH)$_2$) is a fundamental solid-surface chemical reaction with significant implications for materials science. Yet its molecular-level mechanism from water adsorption to…