Related papers: Graphene/Li-Ion battery
The elecrooptical response of graphene due to heating and drift of carriers is studied theoretically. Real and imaginary parts of the dynamic conductivity tensor are calculated for the case of effective momentum relaxation, when anisotropic…
A novel nanoelectronic device is constructed by graphyne that is robustly connected between graphene electrodes, where graphyne is composed of hexagonal carbon rings and carbon chains. Owing to similarities between the bond lengths and unit…
We analyse doping of graphene grown on SiC in two models which differ by the source of charge transfered to graphene, namely, from SiC surface and from bulk donors. For each of the two models, we find the maximum electron density induced in…
We investigated a suspended bilayer graphene where the bottom (top) layer is doped by boron (nitrogen) substitutional atoms by using Density Functional Theory (DFT) calculations. We found that at high dopant concentration (one B-N pair…
We present a review of the electronic compressibility of monolayer and bilayer graphene. We focus on describing theoretical calculations of the effects of electron--electron interactions and various types of disorder, and also give a…
We theoretically consider a graphene ripple as a Brownian particle coupled to an energy storage circuit. When circuit and particle are at the same temperature, the second law forbids harvesting energy from the thermal motion of the Brownian…
Graphynes are 2D porous structures deriving from graphene featuring triangular and regularly distributed subnanometer pores, which may be exploited to host small gaseous species. First principles adsorption energies of molecular hydrogen…
The adsorption of an alkali-metal submonolayer on graphene occupying every third hexagon of the honeycomb lattice in a commensurate $(\sqrt{3}\times\sqrt{3})R30^\circ$ arrangement induces an energy gap in the spectrum of graphene. To…
Motivated by recent experimental data (Sepioni, M. et al. Phys. Rev. Lett. 2010, 105, 207205), we have studied the possibility of forming magnetic clusters with spin S> 1/2 on graphene by adsorption of hydrogen atoms or hydroxyl groups.…
Chemical functionalization has proven to be a promising means of tailoring the unique properties of graphene. For example, hydrogenation can yield a variety of interesting effects, including a metal-insulator transition or the formation of…
Adsorption of molecular oxygen on B-, N-, Al-, Si-, P-, Cr- and Mn-doped graphene is theoretically studied using density functional theory in order to clarify if O2 can change the possibility of using doped graphene for gas sensors,…
The physical processes occurring in the presence of disorder: point defects, grain boundaries, etc. may have detrimental effects on the electronic properties of graphene. Here we present an approach to reveal the grain structure of graphene…
The current rechargeable battery technologies have a failure in their performance at high pressure and temperature. In this article, we have brought theoretical insights on using boron nitride flakes as a protecting layer for a lithium-ion…
The reliability and safety of lithium-ion batteries can be affected by overheating issues. Phase change materials like paraffin due to their large heat capacities are among the best solutions for the thermal management of batteries. In this…
Biological ion channels balance electrostatic and dehydration effects to yield large ion selectivities alongside high transport rates. These macromolecular systems are often interrogated through point mutations of their pore domain,…
The distribution of net electric charge in graphene is investigated, using both a constitutive atomic charge-dipole interaction model and an approximate analytical solution to Laplace's equation. We demonstrate a strong size dependence of…
We report on a capacitance study of dual gated bilayer graphene. The measured capacitance allows us to probe the electronic compressibility as a function of carrier density, temperature, and applied perpendicular electrical displacement D.…
Only one atom thick and not inclined to lattice defects, graphene represents the ultimate crystalline membrane. However, its structure reveals unique features not found in other crystalline membranes, in particular the existence of ripples…
Batteries with silicon-graphite-based anodes, which offer higher energy density and improved charging performance, introduce pronounced voltage hysteresis, making state-of-charge (SoC) estimation particularly challenging. Existing…
A method is described for levitating micron-sized few layer graphene flakes in a quadrupole ion trap. Starting from a liquid suspension containing graphene, charged flakes are injected into the trap using the electrospray ionization…