Crystal orientation of epitaxial film deposited on silicon surface.

Direct growth of oxide film on silicon is usually prevented by extensive diffusion or chemical reaction between silicon (Si) and oxide materials. Thermodynamic stability of binary oxides is comprehensively investigated on Si substrates and shows possibility of chemical reaction of oxide materials on Si surface. However, the thermodynamic stability does not include any crystallographic factors, which is required for epitaxial growth. Adsorption energy evaluated by total energy estimated with the density functional theory predicted the orientation of epitaxial film growth on Si surface. For lower computing cost, the adsorption energy was estimated without any structural optimization (simple total of energy method). Although the adsorption energies were different on simple ToE method, the crystal orientation of epitaxial growth showed the same direction with/without the structural optimization. The results were agreed with previous simulations including structural optimization. Magnesium oxide (MgO), as example of epitaxial film, was experimentally deposited on Si substrates and compared with the results from the adsorption evaluation. X-ray diffraction showed cubic on cubic growth [MgO(100)//Si(100) and MgO(001)//Si(001)] which agreed with the results of the adsorption energy.

Diamond-like Carbon Patterning by the Submerged Discharge Plasma Technique via Soft Solution Processing.

Submerged plasma-assisted discharge direct patterning of diamond-like carbon (DLC) onto the silicon substrate in ambient conditions has succeeded as a new and novel soft solution process. In this environmentally benign technique, a copious amount of pure ethanol (ca. 4 mL) was locally activated with a maximum of ca. 0.23 mkWh by an as-electrochemically synthesized ultrasharp tungsten tip. With the assisted submerged plasma, the decomposed ethanol molecules are anodically patterned directly onto the silicon substrate in ambient conditions. The physical nature of DLC patterns was accessed by profilometry, atomic force microscopy, scanning electron microscopy, and transmission electron microscopy analysis. Furthermore, Fourier-transform infrared, Raman, and X-ray photoelectron spectra were analyzed for chemical compositions and structures, such as surface functionalization, carbon-carbon bonding, and sp2-sp3 ratio, respectively. From a Berkovich-configured nanoindentation analysis, Young's modulus and hardness have shown increasing trend with increasing sp3-sp2 ratio in DLC patterns of 68.5 and 2.8 GPa, respectively. From the electrochemical cyclovoltammetry analysis, a maximum areal specific capacitance of 205.5 µF/cm2 has been achieved at a scan rate of 5 mV/s. The one-step, green, and environmentally sustainable approach of rapid formation of DLC patterns is thus a promising technique for various carbon-based electrode fabrication processes.

Carbon clusters on substrate surface for graphene growth- theoretical and experimental approach.

Growth morphology of carbon clusters deposited on different substrates were investigated by theoretical and experimental approach. For theoretical approach, molecular dynamics was employed to evaluate an adsorptive stability of different size of carbon clusters placed on different substrates. The adsorptive stability was estimated by the difference of total energy of supercell designed as carbon cluster placed on a certain crystal plane of substrate. Among the simulations of this study, carbon cluster flatly settled down on the surface of SrTiO[Formula: see text](001). The result was experimentally verified with layer by layer growth of graphene by pulsed laser deposition in carbon dioxide atmosphere. The absorptive stability can be useful reference for screening substrate for any target material other than graphene.

Using Different Ions to Tune Graphene Stack Structures from Sheet- to Onion-Like During Plasma Exfoliation, with Supercapacitor Applications.

In this article, we report a facile and simple approach for tuning graphene nanosheet structures (GNS) with different ions in the electrolytes through cathodic plasma exfoliation process in electrochemical reactions. We obtained sheet- and onion-like GNS when aqueous electrolyte NaOH and H2SO4, respectively, were present during plasma exfoliation in the electrochemical reactions, as evidenced from scanning electron microscopy and transmission electron microscopy images. Moreover, the onion-like GNS exhibited a specific surface area of 464 m2 g-1 and a supercapacitive performance of 67.1 F g-1, measured at a scan rate of 5 mV s-1 in 1 M NaCl; these values were much higher than those (72 m2 g-1 and 21.6 F g-1, respectively) of the sheet-like GNS. This new approach for efficiently generating tunable stacked graphene structures with different ions, in the cathodic plasma exfoliation process, has promising potentials for use in energy storage devices.

Role of electrochemically in-house synthesized and functionalized graphene nanofillers in the structural performance of epoxy matrix composites.

The present study focuses on the intriguing enhancement in the mechanical properties of an epoxy-based composite structure resulting from the incorporation of in-house synthesized functionalized graphene nanosheets (f-GNSs) as nanofillers. The f-GNSs were obtained by anionic electrochemical intercalation and exfoliation with 2 M H2SO4, HClO4, and HNO3 protic electrolytes. The structural properties of the as-synthesized GNSs were analyzed by XRD and Raman spectroscopy. The (002) and (001) lattice planes of graphene and graphene oxide are observed at around 24.5° and 11° (2θ), respectively, in the XRD spectra. The characteristic peaks at around 1345, 1590, and 2700 cm-1 correspond to the D, G, and 2D bands of the GNSs in the Raman spectra. Quantification of the functional groups and sp2 contents in the GNSs were further analyzed by XPS. Morphological characterization of the f-GNSs reveals that the exfoliated carbon sheets consist of 2-8 layers. The composites are then fabricated by addition of these f-GNSs nanofillers, and the effect of the wt% of the nanofillers on the mechanical properties of the composites is analyzed with the three-point bend test and fractography analysis through interfacial morphological analysis. The addition of 0.1 wt% of nitric-acid-exfoliated f-GNSs nanofiller results in maximum increases of 42.6% and 28.2% in the flexural strengths of neat epoxy resin and glass fiber/epoxy polymer composite structures, respectively. Similarly, the moduli increase by 33.5% and 57.7% in the neat epoxy resin and glass fiber/epoxy polymer composite structures, respectively. The effect of epoxy/f-GNSs interfacial bonding in the composite structure was studied by DSC analysis.