RESUMO
A new two-dimensional carbon allotrope named twin α-trigraphyne monolayer is introduced in the present study and compared with α-trigraphyne monolayer. The structural, mechanical, electronic, and optical characteristics of α-trigraphyne and twin α-trigraphyne sheets are studied by density functional theory. The cohesive energy, ab initio molecular dynamics simulations, and phonon dispersion confirm that these sheets are energetically favorable and thermodynamically stable at room temperature. Both α-trigraphyne and twin α-trigraphyne, due to their porous structures, are more easily deformable than graphene. Calculations of the electronic properties indicate that both of the considered sheets are metals. In addition, the optical properties are investigated for incident light with parallel and perpendicular polarizations. The optical behavior of the sheets is found to be strongly anisotropic. For light parallel to the sheets, high optical constants and strong optical absorption are observed. The combinations of structural, electronic, mechanical, and optical properties make α-trigraphyne and twin α-trigraphyne suitable candidates for use in photovoltaics and touchscreen applications.
RESUMO
First-principles calculations engaging density functional theory (DFT) are employed to systematically study the optical characteristics of monolayer and bilayer boron nitride (BN) triphenylene-graphdiyne (Tp-BNyne) structures featuring varying lengths of C-chains. The thermal stability of Tp-BNyne structures at temperatures up to 1000 K is verified. The weak van der Waals interactions due to the small binding energies and significant interlayer distances maintain the cohesion between the layers. The investigation revealed that all Tp-BNyne structures under examination exhibit semiconductor behavior with a band gap in the range of 0.97-2.74 eV. The bilayer configurations demonstrated a narrower energy band gap in comparison to the monolayer ones. Increasing the length of C-chains leads to a reduction in the energy band gap. Delving into the optical behavior of Tp-BNyne structures under photon incidence with parallel and perpendicular polarizations, a distinct anisotropy in the optical characteristics of Tp-BNyne is revealed. The static dielectric constant increases and the optical band gap decreases with increasing C-chain length. The absorption coefficients of monolayer and bilayer Tp-BNyne structures, on the order of 107/m, demonstrate that these sheets can effectively absorb light in the visible and ultraviolet regions. These findings present Tp-BNyne sheets as promising candidates for use in photovoltaic devices to convert sunlight into electrical current, as well as for designing optical devices for ultraviolet protection. Additionally, Tp-BNyne structures are transparent materials, especially in the high-energy range.
RESUMO
Urea-formaldehyde (UF) resins are primary petroleum-based, increasing their potential environmental footprint. Identifying additives to reduce the total amount of resin needed without adversely affecting the panel properties could reduce these impacts. Wollastonite is a mineral containing calcium and silica that has been used as an additive in a variety of materials and may be useful as a resin extender. Nanoscale wollastonite has been shown to enhance the panel properties but is costly. Micron-scale wollastonite may be a less costly alternative. Medium-density fiberboards were produced by blending a hardwood furnish with UF alone, micron-sized wollastonite alone, or a 9:1 ratio of UF to wollastonite. Panels containing of only wollastonite had poor properties, but the properties of panels with 9:1 UF/wollastonite were similar to the UF-alone panels, except for the internal bond strength. The results suggest that small amounts of micron-sized wollastonite could serve as a resin extender. Further studies are suggested to determine if the micron-sized material has similar positive effects on the resin curing rate.
RESUMO
The aim of this paper was to improve the fire retardancy of beech wood by graphene. Six fire properties, namely time to onset of ignition, time to onset of glowing, back-darkening time, back-holing time, burnt area and weight loss were measured using a newly developed apparatus with piloted ignition. A set of specimens was treated with nano-wollastonite (NW) for comparison with the results of graphene-treated specimens. Graphene and NW were mixed in a water-based paint and brushed on the front and back surface of specimens. Results demonstrated significant improving effects of graphene on times to onset of ignition and glowing. Moreover, graphene drastically decreased the burnt area. Comparison between graphene- and NW-treated specimens demonstrated the superiority of graphene in all six fire properties measured here. Fire retardancy impact of graphene was attributed to its very low reaction ability with oxygen, as well as its high and low thermal conductivity in in-plane and cross-section directions, respectively. The improved fire-retardancy properties by the addition of graphene in paint implied its effectiveness in hindering the spread of fire in buildings and structures, providing a longer timespan to extinguish a fire, and ultimately reducing the loss of life and property. Based on the improvements in fire properties achieved in graphene-treated specimens, it was concluded that graphene has a great potential to be used as a fire retardant in solid wood species.
RESUMO
Wood-composite panel factories are in shortage of raw materials; therefore, finding new sources of fibers is vital for sustainable production. The effects of chicken feathers, as a renewable source of natural fibers, on the physicomechanical properties of medium-density fiberboard (MDF) and particleboard panels were investigated here. Wollastonite was added to resin to compensate possible negative effects of chicken feathers. Only feathers of the bodies of chickens were added to composite matrix at 5% and 10% content, based on the dry weight of the raw material, particles or fibers. Results showed significant negative effects of 10%-feather content on physical and mechanical properties. However, feather content of 5% showed some promising results. Addition of wollastonite to resin resulted in the improvement of some physical and mechanical properties. Wollastonite acted as reinforcing filler in resin and improved some of the properties; therefore, future studies should be carried out on the reduction of resin content. Moreover, density functional theory (DFT) demonstrated the formation of new bonds between wollastonite and carbohydrate polymers in the wood cell wall. It was concluded that chicken feathers have potential in wood-composite panel production.