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1.
《International Journal of Hydrogen Energy》2022,47(99):41783-41794
To satisfy arising energy needs and to handle the forthcoming worldwide climate transformation, the major research attention has been drawn to environmentally friendly, renewable and abundant energy resources. Hydrogen plays an ideal and significant role is such resources, due to its non-carbon based energy and production through clean energy. In this work, we have explored catalytic activity of a newly predicted haeckelite boron nitride quantum dot (haeck-BNQD), constructed from the infinite BN sheet, for its utilization in hydrogen production. Density functional theory calculations are employed to investigate geometry optimization, electronic and adsorption mechanism of haeck-BNQD using Gaussian16 package, employing the hybrid B3LYP and wB97XD functionals, along with 6–31G(d,p) basis set. A number of physical quantities such as HOMO/LUMO energies, density of states, hydrogen atom adsorption energies, Mulliken populations, Gibbs free energy, work functions, overpotentials, etc., have been computed and analysed in the context of the catalytic performance of haeck-BNQD for the hydrogen-evolution reaction (HER). Based on our calculations, we predict that the best catalytic performance will be obtained for H adsorption on top of the squares or the octagons of haeck-BNQD. We hope that our prediction of most active catalytic sites on haeck-BNQD for HER will be put to test in future experiments. 相似文献
2.
《International Journal of Hydrogen Energy》2022,47(22):11472-11491
Eco-friendly quantum dots (QDs) can be termed green QDs which stand as an attractive choice to modify the properties of known semiconductors in the direction of getting efficient photoelectrodes for solar-induced photoelectrochemical (PEC) splitting of water, due to their peculiar properties. Thus, it is of high significance to analyze their merit/demerit as an effective scaffold in PEC cell. QDs are known for their excellent optical properties however, the coupling of green QDs with semiconductor is not only useful in improving absorption characteristics but also promotes charge transfer. This review has undertaken the critical analysis on the worldwide research going on the green QDs modified photoelectrode with respect to their optical, electrical & photoelectrochemical properties, role, usefulness, efficiency, and finally the success in PEC system for hydrogen production. Various methods on the facile synthesis & sensitization techniques of green QDs available in the literature have also been discussed. Further, recent advances on the development of green QDs based photo-electrode, along with major challenges of using green QDs in this field have also been presented. 相似文献
3.
《Ceramics International》2021,47(18):25505-25513
Herein, /graphene oxide nanocomposites were fabricated by ultrasonication technique, using pure spinel ferrite and graphene oxide synthesized by sol-gel method and modified Hummers' method, respectively. The effect of graphene incorporation with ferrite nanoparticles was studied by X-ray diffraction (XRD), electrical and dielectric measurements. XRD analysis revealed the spinel phase for the ferrite sample and confirmed the formation of graphene oxide. The crystallite size was found in the range of and the porosity increased with the increase in the concentration of graphene oxide in the composites. The DC electrical resistivity of spinel ferrite was found equal to and it substantially decreased with the increase in the percentage of graphene oxide at room temperature. The real and imaginary part of relative permittivity followed the Maxwell-Wagner type of interfacial polarization. AC conductivity confirmed the conduction by hopping mechanism and increased on increasing the GO content. The coupling of magnetic ferrite with graphene oxide tunes the magneto-electrical properties for potential applications at high frequencies. 相似文献
4.
S. Sarika S. Abhilash V.S. Sumi S. Rijith 《International Journal of Hydrogen Energy》2021,46(30):16387-16403
A promising electrocatalyst containing variable percentage of V2O5–TiO2 mixed oxide in graphene oxide support was prepared by embedding the catalyst on Cu substrate through facile electroless Ni–Co–P plating for hydrogen evolution reaction. The solvothermal decomposition method was opted for tuning the crystalline characteristics of prepared material. The optimized mixed oxide was well characterized, active sites centres were identified and explained by X-ray diffraction, high resolution tunnelling electron microscopy, scanning electron microscopy coupled with energy dispersive X-ray and X-ray photon spectroscopy analysis. The structural and electronic characteristics of material was done by fourier transform infrared spectroscopy and the electrochemical behaviour of the prepared material was evaluated by using Tafel plot, electrochemical impedance analysis, linear sweep voltammetry, open circuit analysis and chronoamperometry measurements. The results show the enhanced catalytic activity of Ni–Co–P than pure Ni–P plate, due to synergic effect. Moreover, the prepared mixed oxide incorporated Ni–Co–P plate has a high activity towards HER with low over potential of 101 mV, low Tafel slope of 36 mVdec?1, high exchange current density of 9.90 × 10?2 Acm?2. 相似文献
5.
Solomon Hanson Duntu Francis Tetteh Iftikhar Ahmad Mohammad Islam Solomon Boakye-Yiadom 《Ceramics International》2021,47(1):367-380
The onset of hybrid alumina-based composites, which combines two or more nano-particles within the alumina matrix has already shown promising improvements in the matrix material. However, variations in mechanical properties including the optimum compositions that give improved properties faced with the development of alumina-based composites require further studies to understand the underlying mechanisms and synergistic effects of the nano-particle additions on the alumina matrix. In the current study, the structure and properties of Al?O?-graphene (0.5 wt%) and Al?O?–ZrO? (4 wt% and 10 wt%) composites fabricated via hot-pressing was studied as a baseline for multiple combinations. Even though the addition of 10 wt%ZrO? resulted in a 23% reduction in the grain size of the alumina matrix, the 4 wt%ZrO? addition resulted in a 14% increase in grain size as compared to the parent alumina matrix. X-ray diffraction analysis revealed that there was approximately 85% monoclinic (m-ZrO2) vs. 15% tetragonal (t-ZrO2) crystal structures in the A4ZrO? sample whilst the A10ZrO? had approximately 93% m-ZrO2 vs. 7% t-ZrO2. The high-volume fraction of the monoclinic crystal structures in the A10ZrO? accounts for the induced microcracks in the sample since the transition from the ductile-tetragonal to brittle-monoclinic is associated with the exertion of compressive stresses on the alumina matrix by the associated elastic volume expansion of m-ZrO2. Also, the addition of 0.5 wt%graphene resulted in about 37% reduction in the grain size of the alumina matrix, and approximately 10% increase in hardness as a result of the distribution of graphene along the grain boundaries of the parent alumina matrix, which restricts grain coalescence and growth during processing. Furthermore, an increase up to 115% and 164% were observed in the fracture toughness (KIC) with the inclusion of 0.5 wt%graphene and 10 wt%ZrO? respectively, which was primarily ascribed to the fine-grained microstructures and toughening mechanisms of the intergranular graphene and ZrO? particles. 相似文献
6.
《Ceramics International》2021,47(24):34860-34868
Graphene oxide (GO) received a significant attention in the scientific community due to their excellent mechanical properties identifying themselves as an alternative and combinatory to various other metals and composites. Though GO possess excellent strength, it was observed from the literature that graphene oxide consisting of hydroxyl group elements ensue in poor bonding. Thus reduced functional group density (rFGD) graphene is preferred which has an advantage of good bonding, alongside very small quantity as a filler is required to achieve the enhancement equivalent to graphene oxide which forms the novelty of the current work. In current case, 3, 6 and 9 wt% of rFGD is dispersed into E-glass fibre reinforced composite by traditional hand layup technique. The obtained results revealed that, the tensile, flexural and impact strength have shown superior enhancement with 3 and 6 wt% of rGO than neat E-glass epoxy (0 wt% rGO), whereas an asymptotic decrement is noticed at 9 wt% when tested with ASTM standards except for impact strength. The microstructural studies also indicated the proper adhesion and alignment of fibres without any agglomerations corroborate the enhancement of properties. These overall finding supports the suitability of the developed laminates for potential use in structural applications in aerospace industry. 相似文献
7.
《Ceramics International》2021,47(23):32521-32533
In the current report, pure V2O5, a series of Gd doped V2O5 (1 wt%, 3 wt%, 5 wt% and 10 wt%) and graphene integrated Gd–V2O5 photocatalysts have been prepared using a facile wet chemical approach. The effect of Gd+3 ions substitution and RGO support on V2O5 was studied by the different analytical techniques. X-ray diffraction (XRD) results showed the orthorhombic crystal structure of synthesized samples with crystallize size in range of 22–35 nm. Morphological analysis showed nanorods and nanorod arrays like appearance of V2O5, Gd–V2O5 and GdV-2O5/RGO, respectively. Gd–V2O5 and Gd–V2O5/RGO exhibited enhanced optical response in the visible region along with decrease in the band gap values for Gd doped V2O5 samples. BET surface area of Gd–V2O5 and Gd- V2O5/RGO was calculated as 12.39 g/m2 and 15.35 g/m2 that was found to be higher than pristine V2O5. To study the photocatalytic activity of synthesized photocatalysts, methylene blue (MB) was chosen as model pollutant. Among the Gd doped V2O5 samples, highest photocatalytic activity (45.62%) was achieved by optimal concentration of 5 wt% Gd–V2O5 that is accredited to effective separation of electron-hole pairs. While Gd–V2O5/RGO showed 2.1 times higher dye removal (97.12%) than unsupported Gd–V2O5, under the visible light irradiation. The significantly high photocatalytic activity of Gd–V2O5/RGO is due to the synergistic effect aroused by combined action of Gd+3 ions doping and advantageous properties of highly conductive and large surfaced graphene. Recycling experiments for V2O5 derivatives showed good stability and recyclability of photocatalysts. Additionally, Gd–V2O5/RGO was found to be more potential anti-bacterial agent than V2O5 and Gd–V2O5. 相似文献
8.
《Ceramics International》2021,47(22):31852-31859
The primary purpose of this work is to introduce the second phase of graphene (G) into non-stoichiometric TiO1.80 successfully and optimize the thermoelectric properties of this composite material through high pressure and high temperature (HPHT) technology. The purpose of doping Ti powder under high pressure is to create a closed reducing atmosphere to change the ratio of titanium to oxygen in the titanium oxide base. The addition of graphene can considerably improve the electrical properties of the material and reduce its resistivity. An X-ray diffractometer, X-ray photoelectron spectrometer, scanning electron microscope, and transmission electron microscope were used to analyze and characterize the phase structure, chemical bond, micro morphology and crystal morphology of the samples. An abundance of grain boundaries and lattice dislocation defects can inhibit the lattice thermal conductivity. We also tested and analyzed the thermoelectric performance of the high-temperature and high-pressure synthetic samples through a variable temperature system. The variation of the absorption intensity of the ultraviolet UV spectrum with wavelength shows that high pressure can reduce the band gap, which is beneficial to the carrier transition and improves the conductivity of semiconductors. HPHT optimizes both the electrical and the thermal parameters of the sample. At a final sintering pressure of 5.0 GPa, the dimensionless figure of merit (zT) of the bulk composite material G/TiO1.80 was found to be 0.23 at 700 °C. 相似文献
9.
Within the framework of the effective-mass approximation and the dipole approximation, considering the three-dimensional confinement of the electron and hole and the strong built-in electric field(BEF) in strained wurtzite Zn O/Mg0:25Zn0:75O quantum dots(QDs), the optical properties of ionized donor-bound excitons(D+, X)are investigated theoretically using a variational method. The computations are performed in the case of finite band offset. Numerical results indicate that the optical properties of(D+, X) complexes sensitively depend on the donor position, the QD size and the BEF. The binding energy of(D+, X) complexes is larger when the donor is located in the vicinity of the left interface of the QDs, and it decreases with increasing QD size. The oscillator strength reduces with an increase in the dot height and increases with an increase in the dot radius. Furthermore, when the QD size decreases, the absorption peak intensity shows a marked increment, and the absorption coefficient peak has a blueshift. The strong BEF causes a redshift of the absorption coefficient peak and causes the absorption peak intensity to decrease remarkably. The physical reasons for these relationships have been analyzed in depth. 相似文献
10.
Wenshu Chen Jiajun Gu Yongping Du Fang Song Fanxing Bu Jinghan Li Yang Yuan Ruichun Luo Qinglei Liu Di Zhang 《Advanced functional materials》2020,30(25)
Large‐scale production of hydrogen from water‐alkali electrolyzers is impeded by the sluggish kinetics of hydrogen evolution reaction (HER) electrocatalysts. The hybridization of an acid‐active HER catalyst with a cocatalyst at the nanoscale helps boost HER kinetics in alkaline media. Here, it is demonstrated that 1T–MoS2 nanosheet edges (instead of basal planes) decorated by metal hydroxides form highly active / heterostructures, which significantly enhance HER performance in alkaline media. Featured with rich / sites, the fabricated 1T–MoS2 QS/Ni(OH)2 hybrid (quantum sized 1T–MoS2 sheets decorated with Ni(OH)2 via interface engineering) only requires overpotentials of 57 and 112 mV to drive HER current densities of 10 and 100 mA cm?2, respectively, and has a low Tafel slope of 30 mV dec?1 in 1 m KOH. So far, this is the best performance for MoS2‐based electrocatalysts and the 1T–MoS2 QS/Ni(OH)2 hybrid is among the best‐performing non‐Pt alkaline HER electrocatalysts known. The HER process is durable for 100 h at current densities up to 500 mA cm?2. This work not only provides an active, cost‐effective, and robust alkaline HER electrocatalyst, but also demonstrates a design strategy for preparing high‐performance catalysts based on edge‐rich 2D quantum sheets for other catalytic reactions. 相似文献