Computational discovery of two-dimensional tetragonal group IV-V monolayers.

The two-dimensional (2D) hexagonal group IV-V family has attracted significant attention due to their unique properties and potential applications in electronics, spintronics, and photocatalysis. In this study, we report the discovery of a stable tetragonal allotrope, termed the Td4 phase, of 2D IV-V monolayers through a structural search utilizing an adaptive genetic algorithm. We investigate the geometric structures, structural stabilities, and band structures of the Td4-phase 2D IV-V monolayers (where IV = Si, Ge, Sn; V = P, As, Sb) based on the first-principles calculations.

Wide-direct-band-gap monolayer carbon nitride CN: a potential metal-free photocatalyst for overall water splitting.

Two dimensional metal-free semiconductors with high work function have attracted extensive research interest in the field of photocatalytic water splitting. Herein, we have proposed a kind of highly stable monolayer carbon nitride CN with an anisotropic structure based on first principles density functional theory. The calculations of electronic structure properties, performed using the HSE06 functional, indicate that monolayer CN has a wide direct band gap of 2.

Enhancing the Ag-loading capacity on TiCT sheets as hybrid fillers to form composite coatings with excellent antibacterial properties.

The settlement of microorganisms is an unwanted process in various practical fields, where also the first attaching microorganisms could promote other bacterial adhesion, causing an acceleration of bioaccumulation on the solid surface and damage to the surface functions. Developing an advanced composite coating with anti-microorganism attachment features is still a big challenge, and the critical element in any such method is to find an efficient functional agent for use in the coating system that could extend the service period. MXenes have received increasing attentions owing to their unique layer structure and large specific surface area.

Two-dimensional H- and F-BX (X = O, S, Se, and Te) photocatalysts with ultrawide bandgap and enhanced photocatalytic performance for water splitting.

We theoretically propose a type of monolayer structure, H- or F-BX (X = As, Sb; Y = P, As), produced by surface hydrogenation or fluorination, with high stability, large band structures and high light absorption for photocatalytic water splitting. Based on first-principles calculations with the HSE06 functional, the electronic properties and optical properties were explored to reveal their potential performance in semiconductor devices. Additionally, owing to the Janus structure and high electronegativity of the monolayers, our calculations showed that surface fluorination can easily create an internal electric field compared with surface hydrogenation, which results in different trends of increasing bandgaps in monolayer H- and F-BX.

Two dimensional twin T-graphene: monolayer for visible-light photocatalytic water splitting and bulk for anode material of magnesium batteries.

Two-dimensional (2D) carbon allotropes with all-sp-hybridization have demonstrated great potential in nano-photoelectric devices, but the application of semiconductor photocatalysts for water splitting and anodes in magnesium batteries remains unoptimistic. Motivated by this, we theoretically study a highly stable all-sp-hybridized 2D carbon allotrope twin T-graphene (TTG) first-principles simulations. And through the calculations of the HSE06 functional, we find that TTG has a wide bandgap (2.

Facile production of chitin from shrimp shells using a deep eutectic solvent and acetic acid.

High purity chitin was extracted from shrimp shells by a green, sustainable, and efficient one-pot approach using a deep eutectic solvent consisting of choline chloride and glycerol (ChCl-Gl) combined with a small amount of acetic acid. Under the conditions of an acetic acid concentration of 7.5 wt% and reaction temperature of 120 °C, the purity of isolated chitin was up to 96.

High electrocatalytic activity of Pt on porous Nb-doped TiO nanoparticles prepared by aerosol-assisted self-assembly.

This study explores an aerosol-assisted method to prepare an efficient support for the Pt catalyst of polymer electrolyte membrane fuel cells (PEMFCs). Titania nanoparticles and mesoporous niobium-doped titania nanoparticles were prepared by aerosol-assisted self-assembly using titanium(iv) isopropoxide and niobium(v) ethoxide as the titanium and niobium sources for application as non-carbon supports for the platinum electrocatalyst. The structural characteristics and electrochemical properties of the supports were investigated by transmission electron microscopy, X-ray diffraction, Fourier-transform infrared spectroscopy, X-ray photoelectron spectroscopy, electron paramagnetic resonance, inductively coupled plasma optical emission spectrometry, and dynamic light scattering.

Determination of heavy metals in water using an FTO electrode modified with CeO/rGO nanoribbons prepared by an electrochemical method.

The rGO/CeO/FTO nanocomposite modified electrode was prepared by an electrochemical method. A simple and highly sensitive electrochemical sensing platform for electrochemical rGO and modified CeO nanoribbons directly on FTO electrodes was developed. Simultaneous determination of Pb and Cd used the differential pulse anodic stripping voltammetry (DPASV) method.

A highly conductive quasi-solid-state electrolyte based on helical silica nanofibers for lithium batteries.

The replacement of flammable liquid electrolytes by inorganic solid ones is considered the most effective approach to enhancing the safety of Li batteries. However, solid electrolytes usually suffer from low ionic conductivity and poor rate capability. Here we report a unique quasi-solid-state electrolyte based on an inorganic matrix composed of helical tubular silica nanofibers (HSNFs) derived from the self-assembly of chiral low-molecular-weight amphiphiles.