Related papers: Computational studies for reduced graphene oxide i…
Graphene can collect energy from the ambient heat and convert it to electricity, which makes it an ideal candidate for the fabrication of self-powered devices. However, this technology is suffering the high cost, which limits the practical…
Nonempirical modeling of hydrated single-layer graphene oxide (GO) fragments revealed that at least one, but substantial origin of the acidity of aqueous GO solutions is the dissociation in closely grouped and favorably H-bonded hydroxyls.…
The dynamics of photocarriers in reduced graphene oxide thin films is studied by using ultrafast pump-probe spectroscopy. Time dependent differential transmissions are measured with sample temperatures ranging from 9 to 300 K. At each…
The hydrogen dynamics on a graphene sheet is studied in the presence of carbon vacancies. We analyze the motion of atomic H by means of molecular dynamics (MD) simulations, using a tight-binding Hamiltonian fitted to density-functional…
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…
The sensitivity of graphene to the surrounding environment is given by its {\pi} electrons, which are directly exposed to molecules in the ambient. The high sensitivity of graphene to the local environment has shown to be both advantageous…
Sarin is a very lethal synthetic organophosphorated compound that inhibits the nervous system muscle control. Although not used as a chemical weapon anymore, it still worries the authorities regarding possible use by terrorists. Most of the…
We demonstrate proof-of-concept graphene sensors for environmental monitoring of ultra-low concentration NO2 in complex environments. Robust detection in a wide range of NO2 concentrations, 10-154 ppb, was achieved, highlighting the great…
Molecular dynamics (MD) simulations were performed to study the formation process of nanopores in a suspended graphene sheet irradiated by using energetic ions though a mask. By controlling the ion parameters including mass, energy and…
This article is withdrawn since it is published in a journal We report on the first reduction methodology, compatible with flexible, temperature sensitive substrates, for the production of reduced spin coated graphene oxide (GO) electrodes.…
The reduction of iron ore with carbon-carriers is one of the largest sources of greenhouse gas emissions in the industry, motivating global activities to replace the coke-based blast furnace reduction by hydrogen-based direct reduction…
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…
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…
The process of hydrogen desorption from graphane (graphene sheet saturated by hydrogen adsorbed from both sides) has been studied using the method of molecular dynamics. The temperature dependences of the time of desorption onset for…
Graphene oxide (GO) is a nanofilm composed of graphene with various oxygen functional groups attached. GO is of interest due to its unique mechanical-enhancement properties, its tunable electronic properties, and its potential use in the…
The growth of graphene on copper by atmospheric pressure chemical vapor deposition in a system free of pumping equipment is investigated. The emphasis is put on the necessity of hydrogen presence during graphene synthesis and cooling. In…
Experimental investigation of hydrodynamics in electron fluids is a highly topical research area that emerged during the last few years. A recent measurement of the optical conductivity in graphene [P. Gallagher et.al, Science 364, 158…
Hydrogen-based direct reduction offers a sustainable pathway to decarbonize the metal production industry. However, stable metal oxides, like Cr$_2$O$_3$, are notoriously difficult to reduce, requiring extremely high temperatures (above…
Using first-principles calculations, we show that the formation of carbohydrate directly from carbon and water is energetically favored when graphene membrane is subjected to aqueous environment with difference in chemical potential across…
The layers of graphene oxide (GO) are found to be good for permeation of water but not for helium (Science 2012 335 (6067): 442-444) suggesting that the GO layers are dynamic in the formation of permeation route depending on the environment…