Molecular simulation on compatibility and mechanisms of SBS and PTW polymer modifiers in asphalt binder.

Context: Ultrathin overlays are preventive maintenance measures; the tensile and shear stresses generated inside a structural layer under vehicle load are greater than those of conventional thickness asphalt pavement. Therefore, asphalt binders must use high-viscosity and elasticity unique cementing materials to ensure stability. To investigate the modification mechanism of styrene-butadiene-styrene (SBS)/ethylene-butyl acrylate-glycidyl methacrylate copolymer (PTW) high-viscosity modified asphalt binder suitable for ultrathin overlays, the compatibility and molecular behavior of SBS/PTW high-viscosity modified asphalt binder were analyzed by the molecular dynamics (MD) method.

Preparation and application of an imidazolium-based poly (ionic liquid) functionalized silica sorbent for solid-phase extraction of parabens from food samples.

In this work, an imidazolium-based poly (ionic liquid) (poly(1-octyl-3-vinyl- imidazolium naphthalene sulfonate)) functionalized silica (poly(CVImNapSO) @SiO) was successfully prepared for the determination of parabens in food samples. The prepared poly(CVImNapSO)@SiO was characterized by Fourier transform infrared spectrometry (FT-IR), X-ray photoelectron spectrogram (XPS) and Scanning electron microscopy (SEM). The simulation calculation results indicated that the suitable binding energies were between the polymeric ionic liquids and parabens, and the main interactions for extraction were hydrogen bonding, electrostatic and π-π stacking interactions.

Scalable 3D Honeycombed CoO Modified Separators as Polysulfides Barriers for High-Performance Li-S Batteries.

Lithium sulfur batteries (LSBs) are regarded as one of the most promising energy storage devices due to the high theoretical capacity and energy density. However, the shuttling lithium polysulfides (LiPSs) from the cathode and the growing lithium dendrites on the anode limit the practical application of LSBs. To overcome these challenges, a novel three-dimensional (3D) honeycombed architecture consisting of a local interconnected CoO successfully assembled into a scalable modified layer through mutual support, which is coated on commercial separators for high-performance LSBs.

Comprehensive understanding of intrinsic mobility and sub-10 nm quantum transportation in GaSSe monolayer.

Two-dimensional chalcogenides could play an important role in solving the short channel effect and extending Moore's law in the post-Moore era due to their excellent performances in the spintronics and optoelectronics fields. In this paper, based on theoretical calculations combining density functional theory and non-equilibrium Green's function, we have systematically explored the intrinsic mobility in the GaSSe monolayer and quantum transport properties of sub-10 nm GaSSe field-effect transistors (FET). Interestingly, the GaSSe monolayer presents high intrinsic electron mobility up to 10 cm (V s).

Dramatic Responsivity Enhancement Through Concentrated H SO Treatment on PEDOT:PSS/TiO Heterojunction Fibrous Photodetectors.

In order to satisfy the growing requirements of wearable electronic devices, 1D fiber-shaped devices with outstanding sensitivity, flexibility, and stability are urgently needed. In this study, a novel inorganic-organic heterojunction fibrous photodetector (FPD) based on poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) and highly ordered TiO nanotube array is fabricated, which endows a high responsivity, large external quantum efficiency, and fast response speed at 3 V bias. To further ameliorate its performance in the self-powered mode, a facile acid treatment is adopted and the assembled H-PEDOT:PSS/TiO FPD demonstrates outstanding self-powered properties with ≈3000% responsivity enhancement (161 mA W at 0 V under 365 nm irradiation, photocurrent enhancement of ≈50 times) compared with the untreated device.

Micro/Nanoengineered α-Fe O Nanoaggregate Conformably Enclosed by Ultrathin N-Doped Carbon Shell for Ultrastable Lithium Storage and Insight into Phase Evolution Mechanism.

The Fe-based transition metal oxides are promising anode candidates for lithium storage considering their high specific capacity, low cost, and environmental compatibility. However, the poor electron/ion conductivity and significant volume stress limit their cycle and rate performances. Furthermore, the phenomena of capacity rise and sudden decay for α-Fe O have appeared in most reports.