Solar cells based on p-conjugated donor-acceptor (D-A) organic molecular systems are a promising alternative to conventional electrical energy generation. D-A molecular systems, which have a triphenylamine (TPA) moiety linked with a benzothiadiazole (BTD) moiety, open the potential development of new small molecule donors for bulk heterojunction (BHJ) solar cells. Here, a series of donor-acceptor-π-acceptor (D-A-π-A) small molecule donors (SMD) derived from triphenylamine (TPA) donor and benzothiadiazole (BTD) acceptor building blocks, were designed for BHJ organic solar cells. The small molecule donors SMD1-4 were studied using density functional theory (DFT) and time dependent-DFT (TDDFT) methods, to understand the effect of cyano and fluorine group functionalization on their properties. The effect of structure alteration by cyano and fluorine group functionalization on the optoelectronic properties, the calculated highest occupied molecular orbitals (HOMOs) and lowest unoccupied molecular orbitals (LUMOs) and the HOMO-LUMO gaps were theoretically explored. The Voc (open-circuit photovoltage) and fill factor (FF) for SMD1-4 were obtained with a PC71BM acceptor, which showed that these organic small molecules are potential small molecule donors for organic bulk heterojunction solar cells.

Removing CO2 gas to address the global climate crisis is one of the most urgent agendas. To improve the CO2 adsorption ability of activated carbon, nitrogen plasma surface treatment was conducted. The effect of nitrogen plasma treatment on the surface chemistry and pore geometry of activated carbon was extensively analyzed. The porosity and surface groups of the activated carbon varied with the plasma treatment time. By plasma treatment for a few minutes, the microporosity and surface functionality could be simultaneously controlled. The changed microporosity and nitrogen groups affected the CO2 adsorption capacity and CO2 adsorption selectivity over N2. This simultaneous surface etching and functionalization effect could be achieved with a short operating time and low energy consumption.

Fibrous supercapacitors (FSs), owing to their high power density, good safety characteristic, and high flexibility, have recently been in the spotlight as energy storage devices for wearable electronics. However, despite these advantages, FCs face many challenges related to their active material of carbon fiber (CF). CF has low surface area and poor wettability between electrode and electrolyte, which result in low capacitance and poor long-term stability at high current densities. To overcome these limits, fibrous supercapacitors made using surface-activated CF (FS-SACF) are here suggested; these materials have improved specific surface area and better wettability, obtained by introducing porous structure and oxygen-containing functional groups on the CF surface, respectively, through surface engineering. The FS-SACF shows an improved ion diffusion coefficient and better electrochemical performance, including high specific capacity of 223.6 mF cm2 at current density of 10 μA cm2, high-rate performance of 171.2 mF cm2 at current density of 50.0 μA cm2, and remarkable, ultrafast cycling stability (96.2 % after 1,000 cycles at current density of 250.0 μA cm2). The excellent electrochemical performance is definitely due to the effects of surface functionalization on CF, leading to improved specific surface area and superior ion diffusion capability.

The present work reports the effect of different functionalization methodologies on surface modification of porous carbon and its efficacy for benzene adsorption. The virgin and surface-modified adsorbents were characterized by FTIR, N2 sorption analysis, SEM, and Boehm titration. The adsorption isotherms were measured at different temperatures using a highly sensitive magnetic suspension microbalance. At lower benzene concentration, the virgin carbon was found to possess reasonable adsorption capacity, while at higher benzene concentration, the surface-modified carbon tends to perform better. The maximum benzene adsorption capacity at 25 °C and vapor pressure of 90 mbar is as follows: 467 mg/g (NORIT-AC), 227 mg/g (AC-APS (1 M)), 388 mg/g (Norit-AC-HT), 492 mg/g (AC-HNO3), and 531 mg/g (AC-H2SO4).

We report a covalent functionalization of graphene nanoparticles (GnPs) employing 2,3,4-Tri-O-acetyl-β-D-xylopyranosyl azide followed by fabrication of an epoxy/functionalized graphene nanocomposite and an evaluation of its thermo-mechanical performance. Successful functionalization of GnP was confirmed via thermal and spectroscopic study. Raman spectroscopy indicated that the functionalization was on the edge of the graphene sheets; the basal plane was not perturbed as a result of the functionalization. The epoxy/functionalized GnP composite system exhibited an increase in flexural modulus (~18%) and glass transition temperature (~10°C) compared to an un-functionalized GnP based epoxy composite.

The iron oxides nanoparticles and iron oxide with other compounds are of importance in fields including biomedicine, clinical and bio-sensing applications, corrosion resistance, and magnetic properties of materials, catalyst, and geochemical processes etc. In this work we describe the preparation and investigation of the properties of coated magnetic nanoparticles consisting of the iron oxide core and organic modification of the residue. These fine iron oxide nanoparticles were prepared in air environment by the co-precipitation method using of Fe2+ : Fe3+ where chemical pre- cipitation was achieved by adding ammonia aqueous solution with vigorous stirring. During the synthesis of nanoparti- cles with a narrow size distribution, the techniques of separation and powdering of nanoparticles into rather monodisperse fractions are observed. This is done using controlled precipitation of particles from surfactant stabilized solutions in the form organic components. It is desirable to maintain the particle size within pH range, temperature, solution ratio wherein the particle growth is held at a minimum. The iron oxide nanoparticles can be well dispersed in an aqueous solution were prepared by the mentioned co-precipitation method. Besides the iron oxide nanowires were prepared by using similar method. These iron oxide nanoparticles and nanowires have controlled average size and the obtained products were investigated by X-ray diffraction, FESEM and other methods.

A novel strategy for the simultaneous reduction and functionalization of graphene oxide (G-O) was developed using polyallylamine hydrochloride (PAAH) as a multi-functional agent. The G-O functionalization by PAAH was carried out under basic conditions to catalyze the epoxide ring opening reaction of G-O with abundant amine groups of PAAH. We found that G-O was not only functionalized with PAAH but also reduced under the reaction condition. Moreover, the synthesized PAAH-functionalized G-O sheets were soluble in water and applicable to the synthesis of nanocomposites with gold nanoparticles.

A method of functionalization of multi-walled carbon nanotube (MWNT) at room temperature using dry ozone gas is described. The resulting MWNT were characterized by Fourier transform infrared, x-ray photoelectron spectroscopy, and scanning electron microscopy. Combined to these analyses and solubility in liquids, it could be concluded that the dry ozone gas exposure introduces polar functional groups such as carboxylic groups to MWNT similar to acidic modification of MWNT. Particularly, the stable dispersion of MWNT in water after ozone treatment above a critical level could be obtained, implying potential bio-application. The hydrophilic functional groups on the MWNT introduced by ozone oxidation were helpful in improving the interaction with functional groups in PA6 such as -NH2 and -CONH- resulting in improved mechanical properties.

The surface of magnetite () nanoparticles prepared by coprecipitation method was modified by carboxylic acid group of poly(3-thiophenacetic acid (3TA)) and meso-2,3-dimercaptosuccinic acid (DMSA). Then the lysozyme protein was immobilized on the carboxylic acid group of the modification of the magnetite nanoparticles. The magnetite nanoparticles are spherical and the particle size is approximately 10 nm. We measured quantitative dispersion state by dispersion stability analyzer for each nanoparticles with and without surface modification. The concentration of lysozyme on the modified magnetite nanoparticles was also investigated by a UV-Vis spectrometer and compared to that of magnetite nanoparticles without surface modification. The functionalized magnetite particles had higher enzymatic capacity and dispersion stability than non-functionalized magnetite nanoparticles