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The use of reduced graphene oxide (rGO) as an environmentally friendly, multi-functional conductive binder is proposed as a novel strategy for manufacturing free-standing, flexible, high-performance hard carbon anodes for sodium ion batteries (NIBs). Compared with the conventional electrodes fabricated with insulating, fluorine-containing polymer binder (PVDF), the unique two-dimensional structure...
Electron-withdrawing 4-cyanophenyl-, electronically innocent phenyl-, and electron-donating 4-dimethylaminophenyl-functionalized porphyrin/single-walled carbon nanotube (SWCNT) nanohybrids have been synthesized and characterized by ultraviolet–visible absorption, steady-state fluorescence, Fourier transform infrared, and Raman spectroscopies, X-ray photoelectron spectroscopy, scanning electron microscopy,...
We investigate the thermal transport properties of bicrystalline graphene nanoribbons (bi-GNRs) with different symmetric tilt grain boundaries (GBs) by using the molecular dynamics (MD) simulations. It is found that the bi-GNR with the 10.98°GB (the highest dislocation density) has an anomalously enhanced thermal conductivity for the heat flux along the GB compared to other ribbons with lower dislocation...
The failure strengths of graphene grain boundaries, over a range of misorientation angles from 0° to 60°, are investigated by molecular dynamics simulations. A correlation between the level of bond pre-strain and bond rupture is revealed. It is shown that the distribution of grain boundary dislocations is, in addition to the misorientation angle, also an important factor in determining the failure...
Topological defects in graphene, such as dislocations and grain boundaries, can produce out-of-plane buckling defects, which can bulge either up or down and, therefore, introduce two different polarities (namely, “up” and “down”). These defects have strong effects on graphene properties. We perform very long-time-scale, temperature accelerated molecular dynamics simulations of these topological defects...
Domain/grain boundaries are often introduced into graphene during chemical vapor deposition growth processes. Here, we performed a series of hybrid molecular dynamics simulations to study the structures, energies, and structural transformations of symmetric tilt grain boundaries of graphene. The grain boundary comprises an array of edge dislocations, with the dislocation density increasing upon increasing...
Films of superhydrophobic multi-wall carbon nanotubes (MWCNTs) have been obtained by using alkyl-modified MWCNTs (MWCNT(COOC 18 H 37 ) n ) and a simple and effective preparation method. The films show both a high contact angle and a small sliding angle for water droplets. A particular characteristic is that on the superhydrophobic surface the alkyl-modified MWCNTs are not intentionally...
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