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We study the behavior of hydrated graphite oxide (GO) at high temperatures using thermally accelerated molecular dynamics simulations based on ab initio density functional theory. Our results suggest that GO, a viable candidate for water…
Chemical bondings of graphene oxides with oxygen concentration from 1\% to 50\% are investigated using first-principle calculations. Energy gaps are mainly determined by the competition of orbital hybridizations in C-C, O-O, and C-O bonds.…
We demonstrate high yield fabrication of field effect transistors (FET) using chemically reduced graphene oxide (RGO) sheets suspended in water assembled via dielectrophoresis. The two terminal resistances of the devices were improved by an…
Low Work Function Tethers (LWT) is long conductors with a segment coated with a material that has loosely-bounded electrons. Unlike a standard bare tether equipped with an active electron emitter, LWTs close the electrical circuit (cathodic…
Graphene oxide (GO) is regarded as one typical two-dimension structured oxygenated planar molecular material. Researchers across multiple disciplines have paid enormous attention to it due to unique physiochemical properties. However,…
Hydrogen storage capacity, stability, bonding mechanism and the electronic structure of polylithiated molecules (OLi2) functionalized graphane (CH) has been studied by means of first principle density functional theory (DFT). Molecular…
Oxidation of graphite and subsequent exfoliation leads to single layer graphene oxide (GO). GO has found many applications across diverse fields including medicinal chemistry, catalysis as well as a precursor for graphene. One of the key…
Graphene oxide is a rising star among 2D materials, yet its interaction with liquid water remains a fundamentally open question: experimental characterization at the atomic scale is difficult, and modelling by classical approaches cannot…
The data by Q.Yang et al suggest absence of "ultrafast flow" of solvent across graphene oxide (GO) membranes. The "ultrafast flow" is result of using unrealistic geometrical model with close packed hole-free micrometer sized GO flakes…
Due to its exceptional lithium storage capacity silicon is considered as a promising candidate for anode material in lithium-ion batteries (LIBs). In the present work we demonstrate that methods of the soft X-ray emission spectroscopy…
Enhanced supercontinuum generation (SCG) is experimentally demonstrated in integrated silicon nitride (Si3N4) waveguides incorporating highly nonlinear graphene oxide (GO) in the form of two dimensional (2D) films. Onchip integration of the…
Based on ab initio calculations, we examine the incorporation of Li atoms in the MoS2/graphene interface. We find that the intercalated Li atoms are energetically more stable than Li atoms adsorbed on the MoS2 surface. The intercalated…
Cubic spinel lithium manganese oxide (LiMn2O4) has been able to attract a great deal of attention over the years as a promising cathode material for large scale lithium ion batteries. Here a facile hydrothermal route followed by solid state…
Graphene oxide (GO) flakes have been deposited to bridge the gap between two epitaxial graphene electrodes to produce all-graphene devices. Electrical measurements indicate the presence of Schottky barriers (SB) at the graphene/graphene…
In the context of graphene-based composite applications, a complete understanding of charge conduction in multilayer reduced graphene oxides (rGO) is highly desirable. However, these rGO compounds are characterized by multiple and different…
We suggest that the lithiation of pristine SnO forms a layered Li$_\text{X}$O structure while the expelled tin atoms agglomerate into 'surface' planes separating the Li$_\text{X}$O layers. The proposed lithiation model widely differs from…
As a storage material for Li-ion batteries, graphene/molybdenum disulfide (Gr/MoS2) composites have been intensively studied in experiments. But the relevant theoretical works from first-principles are lacking. In the current work,…
Films of a few layers in thickness of reduced graphite oxide, RGO, sheets functionalized by the zwitterionic surfactant N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate, DDPS, are obtained by using the Langmuir-Blodgett method. The…
The laminated structure of graphene oxide (GO) confers unique interactions with water molecules which may be utilised in a range of applications that require materials with tuneable hygroscopic properties. Precise roles of the expandable…
Energy efficient, safe and reliable Li-ion batteries (LIBs) are required for a wide range of applications. Charging capabilities of thick electrodes still holding their stored high-energy is a most desirable characteristic in future…