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1.
Phys Chem Chem Phys ; 24(6): 3875-3885, 2022 Feb 09.
Artículo en Inglés | MEDLINE | ID: mdl-35088774

RESUMEN

Based on MoC2 nanoribbons and poly-(terphenylene-butadiynylene) (PTB) molecules, we designed MoC2-PTB molecular spintronic devices and investigated their spin-dependent electron transport properties by using spin-polarized density functional theory and the non-equilibrium Green's function method. As a typical MXene material, it is found that the magnetic contribution of MoC2 nanoribbons mainly comes from the delocalized 3d electron of edge Mo atoms. Owing to the obvious spin-splitting near the Fermi level of the MoC2 nanoribbon electrode, the spin states can be effectively injected into the central scattering region under an external bias voltage. In addition, we also studied the effects of z-axis strain on the spin transport properties of the PTB molecular device, where the strain was controlled within the range of -9% to 9%. Under a compressed strain, spin current increases obviously, and the spin-filtering efficiency (SFE) decreases slightly. Nevertheless, under a tensile strain, we found that the SFE increases but spin current decreases. Moreover, z-axis strain can induce a negative differential resistance (NDR) effect at a high bias point. This work would expand the potential applications of new two-dimensional (2D) materials in the field of molecular spintronic devices.

2.
Polymers (Basel) ; 15(4)2023 Feb 15.
Artículo en Inglés | MEDLINE | ID: mdl-36850233

RESUMEN

Wood is widely used as a construction material due to its many advantages, such as good mechanical properties, low production costs, and renewability. However, its flammability limits its use in construction. To solve the problem of wood flammability, the most common method to improve the fire safety of wood is to modify the wood by deep impregnation or surface coating with flame retardants. Therefore, many researchers have found that environmentally friendly and low-cost biomass materials can be used as a source of green flame retardants. Two aspects of biomass-based intumescent flame retardants are summarized in this paper. On the one hand, biomass is used as one of the three sources or as a flame-retardant synergist in combination with other flame retardants, which are called composite biomass intumescent flame retardants. On the other hand, biomass is used alone as a feedstock to produce all-biomass intumescent flame retardants. In addition, the potential of biomass-based materials as an environmentally friendly and low-cost FR source to produce high-performance biomass-based flame retardants with improved technology was also discussed in detail. The development of biomass-based intumescent flame retardants represents a viable and promising approach for the efficient and environmentally friendly production of biomass-based flame retardants.

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