This study assessed the influences of fluorine introduced into DLC films on the structural and mechanical properties of the sample. In addition, the effects of the fluorine incorporation on the compressive stress in DLC films were investigated. For this purpose, fluorinated diamond-like carbon (F-DLC) films were deposited on cobalt-chromium-molybdenum substrates using radio-frequency plasma-enhanced chemical vapor. The coatings were examined by Raman scattering (RS), Attenuated total reflectance Fourier transform infrared spectroscopic analysis (ATR-FTIR), and a combination of elastic recoil detection analysis and Rutherford backscattering (ERDA-RBS). Nano-indentation tests were performed to measure hardness. Also, the residual stress of the films was calculated by the Stony equation. The ATR-FTIR analysis revealed that F was present in the amorphous matrix mainly as C-F and C-F2 groups. Based on Raman spectroscopy results, it was determined that F made the DLC films more graphitic. Additionally, it was shown that adding F into the DLC coating resulted in weaker mechanical properties and the F-DLC coating exhibited lower stress than DLC films. These effects were attributed to the replacement of strong C = C by feebler C-F bonds in the F-DLC films. F-doping decreased the hardness of the DLC from 11.5 to 8.8 GPa. In addition, with F addition, the compressive stress of the DLC sample decreased from 1 to 0.7 GPa.

Hydroxyl radical (OH radical) is the most harmful free radical amongst the Reactive Oxygen Species (ROS) responsible for numerous diseases of DNA damage like mutagenesis, carcinogenesis and ageing. Therefore, it is important to find a suitable scavenger for OH radical. In the present contribution, we aim to investigate the ability of pristine armchair-SWCNT and B/N/P-doped armchair-SWCNT to scavenge OH radicals using DFT calculations. The calculations reveal that the B/Pdoped armchair-SWCNTs can act as a better scavenger for OH radical compared to pristine armchair-SWCNT but N-doped armchair-SWCNT does not act as a better scavenger for OH radical compared to pristine armchair-SWCNT. Furthermore, the developed scavenger is examined in terms of large-scale availability, biocompatibility, conductivity, stability and reactivity. For both in vivo and in vitro studies, the work is found to useful for enhancing SWCNT as a free radical scavenger.

Single C-vacancy and pyridine-like N3 defect are usually formed on the single-walled carbon nanotube (SWCNT) and they have unique properties for potential applications. In this paper, we use density functional theory to investigate the discrepancies of such two structures from the geometric and electronic aspects. Our results indicate that the existed single vacancy in the SWCNT can lead to somewhat electron localization because of the lone pair electrons; while the N3 embedded SWCNT ( N3-SWCNT) has stronger chemical reactivity and electron localization than the single vacancy SWCNT (SV-SWCNT) due to the great charge transfer between N3 group and C atom on the tube sidewall. Through the investigation of Ag-doping on the above two nano-structures, we found that the single Ag atom is much more stably adsorbed on the N3- SWCNT sidewall compared with SV-SWCNT, forming higher binding energy and higher electron transfer. Our calculation would shed light on the physicochemical property of SWCNT-based material and thus extend their potential applications in many fields.

A simple, but effective means of tailoring the physical and chemical properties of carbon materials should be secured. In this sense, chemical doping by incorporating boron or nitrogen into carbon materials has been examined as a powerful tool which provides distinctive advantages over exohedral doping. In this paper, we review recent results pertaining methods by which to introduce boron atoms into the sp2 carbon lattice by means of high-temperature thermal diffusion, the properties induced by boron doping, and promising applications of this type of doping. We envisage that intrinsic boron doping will accelerate both scientific and industrial developments in the area of carbon science and technology in the future.

This paper addresses the effect of dopants on the electronic properties of zigzag (8, 0) semiconducting single walled carbon nanotubes (SWCNTs), using extended Hückel theory combined with nonequilibrium Green’s function formalism. Through appropriate dopant concentrations, the electronic properties of SWCNTs can be modified. Within this context, we present our ongoing investigation on (8, 0) SWCNTs doped with nitrogen. Quantum confinement effects on the electronic properties of the SWCNTs have also been investigated. The obtained results reveal that the electronic properties of SWCNTs are strongly dependent on the dopant concentration and modification of electronic structures by hydrogen confinement.

We investigated the effects of Co doping on the NO gas sensing characteristics of ZnO-carbon nanotube (ZnO-CNT) layered composites fabricated by coaxial coating of single-walled CNTs with ZnO using pulsed laser deposition. Structural examinations clearly confirmed a distinct nanostructure of the CNTs coated with ZnO nanoparticles of an average diameter as small as 10 nm and showed little influence of doping 1 at.% Co into ZnO on the morphology of the ZnO-CNT composites. It was found from the gas sensing measurements that 1 at.% Co doping into ZnO gave rise to a significant improvement in the response of the ZnO-CNT composite sensor to NO gas exposure. In particular, the Co-doped ZnO-CNT composite sensor shows a highly sensitive and fast response to NO gas at relatively low temperatures and even at low NO concentrations. The observed significant improvement of the NO gas sensing properties is attributed to an increase in the specific surface area and the role as a catalyst of the doped Co elements. These results suggest that Co-doped ZnOCNT composites are suitable for use as practical high-performance NO gas sensors.

The field of photocatalysis is one of the fastest growing areas both in research and commercial fields. Titanium dioxide is the most investigated semi-conductor material for the photocatalysis applications. Research to achieve TiO2 visible light activation has drawn enormous attentions because of its potential to use solar light. This paper reviews the attempts made to extend its visible photocatalytic activity by carbon doping. Various approaches adopted to incorporate carbon to TiO2 are summarized highlighting the major developments in this active research field. Theoretical features on carbon doping are also presented. Future scenario in the rapidly developing and exciting area is outlined for practical applications with solar light.

The initial irreversible capacity, Qi, is one of the parameters to express the material balancing of the cathode to anode. We introduced new terms, which are the initial intercalation Ah efficiency (IIE) and the initial irreversible specific capacity at the surface (Qis), to express precisely the irreversibility of an electrode/electrolyte system. Two terms depended on kinds of active-materials and compositions of the electrode, but did not change with charging state. MPCF had the highest value of IIE and the lowest value of Qis in 1M LiPE6/EC + DEC (1 : 1 volume ratio) electrolyte. IIE value of LiCoO2 electrode was 97-98%, although the preparation condition of the material and the electrolyte were different. Qis value of LiCoO2 was 0~1 mAh/g. MPCF-LiCoO2 cell system had the lowest of the latent capacity. Qis value increased slightly by adding conductive material. IIE and Qis value varied with the electrolyte. By introducing PC to EC+DEC mixed solvent, IIE values were retained, but Qis increased. In case of addition of MP, IIE value increased and Qis value also increased a little.