Sharif Digital Repository

In this study, we explore resonance-enhanced optical absorption in Ta 3N5 photoanodes for water splitting. By using a reflecting Pt back-contact and appropriate Ta3N5 film thickness, the resonance frequency can be tuned to energies just above the bandgap, where the optical absorption is normally weak. The resonance results in a significant improvement in the photoanode's incident photon-to-current efficiency. The Ta3N5 films are made by high-temperature nitridation of Ta2O5. The nitridation time is found to be critical, as extended nitridation result in the formation of nitrogen vacancies through thermal reduction. These insights give important clues for the development of efficient... 

On silicon substrates, boron nitride nanosheets (BNNS) consisting of interconnected hexagonal boron nitride nano-layers were produced via chemical vapor deposition process at 1200 °C whose roughness's are at the micrometer- and nanometer-scale. The BNNS were functionalized in argon plasma admixed with ammonia or nitrogen or oxygen. The samples were characterized to investigate the surface chemistry and structural changes after plasma treatment using X-ray photoelectron spectroscope and Micro-Raman spectroscope techniques, respectively. While no significant changes in the surface features, upon plasma treatments of the BNNS, were noticed during SEM and TEM examination, the oxygen functional... 

Graphitic carbon nitride (g-C3N4) is a metal-free conjugated polymer constructed from two-dimensional sheets with a bandgap energy of 2.7 eV, which makes it an applicable and efficient visible-active photocatalyst for H2 production. In the present study, the basic concepts and principles of photocatalytic water splitting have been discussed, and a guide for the selection of appropriate photocatalysts, focusing on the g-C3N4 nanomaterials, has been proposed. Our approach is mainly concentrated on evaluating two factors, namely the solar-to-hydrogen (STH) conversion and apparent quantum yield (AQY) for different photocatalysts, to provide an in-depth analysis and a framework for solar H2... 

In this study, adsorption of important pollutant cations on the surface of graphitic carbon nitride (g-C3N4) was investigated by density functional theory. The calculations indicated that N6 cavity surrounded by triazine units is the most probable adsorption site on this surface. The structural optimizations also predicted a planar surface for Cr3+, and Ni2+/g-C3N4 systems while the structure of the surface for other systems indicated a considerable distortion with strong dependency on the cation size. Also, g-C3N4 surface exhibited the high adsorption energies for Cr3+, As3+, and Sb3+ ions in the gas phase. However, formation energies of the metal-aquo complexes of these cations indicated... 

This study involves the capability of severe shot peening (SSP) as a catalyst intake for plasma nitriding process and the probability of reducing the requirement of thermal energy individually on the diffusion of interstitial atoms. To this end, combination of mechanical-thermal energy is run with pure thermal plasma assisted energy. Therefore, SSP is exposed to AISI 304 austenitic stainless steel as a former treatment and gradient structured surface (nanograined zone, ultrafine grain martensite-twin intersections zone and twin densed zone) is created. Then, plasma nitriding at 400 0 C-4h and 475 0 C-2h temperature-duration conditions. The condition of 475 0 C-2h provides the requirements of... 

Electrochemical sensing performance of two-dimensional hexagonal boron nitride (2D h-BN) has traditionally been suppressed by their intrinsic electrical insulation and deficient electron transportation mechanism. However, the excellent electrocatalytic activity, high specific surface area, N- and B-active edges, structural defects, adjustable band gap through interaction with other nanomaterials, and chemical functionalization, makes 2D h-BN ideal for many sensing applications. Therefore, finding a pathway to modulate the electronic properties of 2D h-BN while the intrinsic characteristics are well preserved, will evolve a new generation of highly sensitive and selective electrochemical... 

This article presents a nonlocal sinusoidal shear deformation beam theory (SDBT) for the nonlinear vibration of single-walled boron nitride nanotubes (SWBNNTs). The surrounding elastic medium is simulated based on nonlinear Pasternak foundation. Based on the nonlocal differential constitutive relations of Eringen, the equations of motion of the SWBNNTs are derived using Hamilton's principle. Differential quadrature method (DQM) for the nonlinear frequency is presented, and the obtained results are compared with those predicted by the nonlocal Timoshenko beam theory (TBT). The effects of nonlocal parameter, vibrational modes, length, and elastic medium on the nonlinear frequency of SWBNNTs... 

Tensile and room temperature Charpy V-notch impact tests along with microstructural studies were used to evaluate the variations in the as-cast mechanical properties of low-carbon steels with and without vanadium and niobium. Tensile test results indicate that good combinations of strength and ductility can be achieved by microalloying additions. While the yield strength and UTS increase up to respectively 370-380 and 540-580 MPa in the microalloyed heats, their total elongation range from 20 to 25%. TEM studies revealed that random and interphase fine-scale microalloy precipitates play a major role in the strengthening of the microalloyed heats. On the other hand, microalloying additions... 

In this research, microstructure and corrosion properties of plasma nitriding and post-oxidation treated AISI 316 austenitic stainless steel have been studied. The plasma nitriding treatment was carried out at 450 C for 5 h in a D.C. plasma setup with a gas mixture of 25% N2-75% H2 followed by post-oxidation in gas mixtures of O2/H2: 1/3, 1/5, 1/9 and 1/12 for 30 min. The treated samples were characterized by SEM, XRD and roughness testing. Potentiodynamic and cyclic polarization tests were also employed to evaluate the corrosion resistance of the samples. The results showed that plasma nitriding treatment decreases corrosion resistance of the steel substrate. However, post-oxidizing... 

The effects of nitriding, nitrocarburizing and shot peening on fatigue behavior of AISI D3 cold work tool steel were investigated. Five batches of fatigue specimens were manufactured according to the ASTM E466-96 standard. All specimens were quenched and tempered to a hardness of 50 HRC. One group of specimens was shot peened with an Almen intensity of 16 A, one group was nitrocarburized, one group was gas nitrided by single stage and another group was also nitrided by double stages. Rotating-bending fatigue tests were carried out. Our results showed that nitriding and nitrocarburizing treatments did not have a beneficial effect on the fatigue resistance of D3 tool steel. Fatigue test... 

The fabrication of the C6N7 monolayer [Zhao et al., Sci. Bull. 66, 1764 (2021)] motivated us to discover the optical, structural, mechanical, and electronic properties of the C6N7 monolayer by employing the density functional theory (DFT) method. We find that the shear modulus and Young's modulus of the C6N7 monolayer are smaller than the relevant values of graphene. However, Poisson's ratio is more significant than that of graphene. Applying the PBE (HSE06) functional bandgap of the C6N7 monolayer is 1.2 (1.97) eV, and the electronic dispersion is almost isotropic around the Γ point. C6N7 is more active in the ultraviolet region as compared to the visible light region. This study provides... 

MXenes have recently witnessed significant evolution and advances in terms of their applications in different areas such as flexible electronics, energy storage devices, and coatings. Here, the mechanical properties of both pristine and functionalized Tin+1CnO2 and Tin+1NnO2 (n = 1, 2) are investigated utilizing classical molecular dynamics simulations. For eight different MXene structures, the stress-strain curves are calculated including Young's modulus, strength, and fracture strain. It is found that Ti2N holds the highest Young's modulus with the value of 517 GPa while Ti3C2 has the lowest one with the amount of 133 GPa. In addition, the strongest MXene structure is Ti2N while the... 

Titanium nitride-carbon nanocomposites are synthesized by the reaction of TiCl4 and NaN3 in supercritical benzene medium that also serves as a carbon source. The as-prepared precursors (SI, SII) are subjected to several heat treatments (SIII-SV). The synthesized nanoparticles are characterized by X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), and transmission electron microscopy (TEM). The samples are tested as electrocatalyst for oxygen reduction reaction in an alkaline electrolyte. It is shown that the electrocatalytic properties of the synthesized nanoparticles are...