Related papers: The structure of graphite oxide: Investigation of …
Low-density, highly porous graphene/graphene oxide (GO) based-foams have shown high performance in energy absorption applications, even under high compressive deformations. In general, foams are very effective as energy dissipative…
Transport properties of progressively reduced graphene oxide (GO) are described. Evolution of the electronic properties reveals that as-synthesized GO undergoes insulator-semiconductor-semi-metal transitions with reduction. The apparent…
Here we develop a class off face centred cubic structure of metallic silver nanocrystals, to enable high ORR activity process. Silver nanoparticles deposited within different carbon supports: carboxylated-graphene, SiO2-doted reduced-…
Understanding the chemical stability of Gas Electron Multipliers (GEMs) operated in CO$_2$-based mixtures is essential for improving detector longevity and reliability. In this work, we investigate the interaction between CO$_2$ molecules…
The development of radiation-tolerant materials capable of maintaining structural, electrical, and thermal stability in extreme, radiation-rich environments remains a critical challenge in materials science. In this work, the effects of 60…
The colloidal 2D materials based on graphene and its modifications are of great interest when it comes to forming LC phases. These LC phases allow controlling the orientational order of colloidal particles, paving the way for the efficient…
Some highly ordered compounds of graphene oxide (GO), e.g., the so-called clamped and unzipped GO, are shown to have piezoelectric responses via first-principles density functional calculations. By applying an electric field perpendicular…
We show that the presence of electrically insulating graphite oxide (GO) within a single wall carbon nanotube network strongly enhances electrical conductivity, whereas reduced graphite oxide, even though electrically conductive, suppresses…
First-principles DFT levels of calculations have been carried out in order to study the structural stability and electronic properties of hydrogen passivated graphene (H-graphene) clusters. Two different shaped clusters, rectangular and…
Graphene consists of single or few layers of crystalline ordered carbon atoms. Its visibility on oxidized silicon (Si/SiO\_2) enabled its discovery and spawned numerous studies of its unique electronic properties. The combination of…
The stability of graphene nanoribbons in the presence of typical atmospheric molecules is systematically investigated by means of density functional theory. We calculate the edge formation free energy of five different edge configurations…
Electronic properties of graphene oxides enriched by the strong chemical bondings are investigated using first-principle calculations. They are very sensitive to the changes in the number of graphene layer, stacking configuration, and…
The structure of solid oxygen has been studied at pressures from 50 to 140~GPa using static structure search methods and molecular dynamics simulations with density functional theory and a hybrid exchange functional. Several crystalline…
SrTiO$_3$ (STO) is the substrate of choice to grow oxide thin-films and oxide heterojunctions, which can form quasi-two-dimensional electronic phases that exhibit a wealth of phenomena, and, thus, a workhorse in the emerging field of…
A novel crystalline structure of hybrid monolayer hexagonal boron nitride (BN) and graphene is predicted by means of the first-principles calculations. This material can be derived via boron or nitrogen atoms substituted by carbon atoms…
Many sub-Neptune and super-Earth exoplanets are expected to develop metal-enriched atmospheres due to atmospheric loss processes such as photoevaporation or core-powered mass loss. Thermochemical equilibrium calculations predict that at…
The electronic structure in alkaline earth AeO (Ae = Be, Mg, Ca, Sr, Ba) and post-transition metal oxides MeO (Me = Zn, Cd, Hg) is probed with oxygen K-edge X-ray absorption and emission spectroscopy. The experimental data is compared with…
Sorption and the subsequent desorption of 4He, H2,Ne, N2, CH4 and Kr gas impurities by graphene oxide (GO), glucose-reduced GO (RGO-Gl) and hydrazine-reduced GO (RGO-Hz) powders have been investigated in the temperature interval 2-290 K. It…
Possible stably-ordered substitutional structures based on a graphene-type crystal lattice are considered. A kinetic model of atomic ordering in metal-doped graphene with stoichiometric (1/8, 1/4, 1/2) and nonstoichiometric compositions is…
We investigate the magnetism in graphite by controlled oxidation. Our approach renders graphite an insulator while maintaining its structure. Fourier transform infrared spectroscopy and X-ray absorption near edge structure spectra reveal…