Exploring lithium ion interactions in graphite electrodes through non-equilibrium molecular dynamics and density functional theory.

In molecular dynamics (MD) simulations, selecting an appropriate potential function is a crucial element for accurately simulating the kinetic properties of lithium ion intercalation, storage, and diffusion in graphite systems. This work employed a combination of non-equilibrium molecular dynamics (NEMD) and density-functional theory (DFT) for simulation and analysis. The findings indicate that the AIREBO potential function precisely describes the motion of ordered lithium ions between graphite layers, consistent with the models proposed by Rüdorff and Hofmann (R-H) and Daumas and Hérold (D-H).

Reversible Photochromic Phenomenon of Plasmonic Metal/Semiconductor Heterostructures via Photoinduced Electron Storage.

The transfer and migration process of the photogenerated charge carriers in plasmonic metal/semiconductor heterostructures not only affects their photocatalytic performance but also triggers some captivating phenomena. Here, a reversible photochromic behavior is observed on the Au/CdS heterostructures when they are investigated as photocatalysts for hydrogen production. The photochromism takes place upon excitation of the CdS component, in which the photogenerated holes are rapidly consumed by ethanol, while the electrons are transferred and stored on the Au cores, resulting in the blue shift of their localized surface plasmon resonance.

Investigation of charge dynamics in dinuclear cobalt phthalocyanine ammonium sulfonate (PDS) modified Ti-FeO photoanodes for photoelectrochemical water oxidation.

The kinetic competition between water oxidation/electron extraction processes and recombination behaviors is a key consideration in the development of efficient photoanodes for solar-driven water splitting. Investigating the photogenerated charge behaviors could guide the construction of high-efficiency photoanodes. In this study, the charge carrier kinetics involved in photoelectrochemical water oxidation of PDS/Ti-FeO were analyzed using surface photovoltage (SPV), transient photovoltage (TPV), short-pulse transient photocurrent (TPC) and photoelectrochemical impedance spectra (PEIS).

Hydration Behavior of Magnesium Potassium Phosphate Cement: Experimental Study and Thermodynamic Modeling.

The microstructure and performance of magnesium potassium phosphate cement (MKPC), a kind of magnesium phosphate cement (MPC), are determined by the hydration products. In this paper, the hydration behavior of MKPC is investigated through various material characterization methods and thermodynamic modeling, including X-ray diffraction (XRD), thermogravimetric and differential scanning calorimeter (TG/DSC), scanning electron microscopy (SEM), mercury intrusion porosimetry (MIP) and GEMS software. The results of XRD, TG/DSC and SEM all indicate that K-struvite (MgKPO·6HO) is the main hydration product of MKPC.

N-Doped TiO Coupled with Manganese-Substituted Phosphomolybdic Acid Composites As Efficient Photocatalysis-Fenton Catalysts for the Degradation of Rhodamine B.

The effectiveness of photocatalytic and Fenton reactions in the synergistic treatment of water pollution problems has become indisputable. In this paper, nitrogen-doped TiO was selected as the catalyst for the photocatalytic reaction and manganese-substituted phosphomolybdic acid was used as the Fenton reagent, the two of which were combined together by acid impregnation to construct a binary photocatalysis-Fenton composite catalyst. The degradation experiments of the composite catalyst on RhB indicated that under UV-vis irradiation, the composite catalyst could degrade RhB almost completely within 8 min, and the degradation rate was 19.

Functional analysis of a viral promoter from a strawberry vein banding virus isolate from China.

Background: Promoters are important factors affecting gene expression in cells. The driven activities of viral promoters were generally assessed to screen available promoters for transgenic and research and biotech industries. In this study, we cloned a full-length promoter from a Chinese isolate of strawberry vein banding virus (SVBV) and produced several deletion mutants for evaluation of applications in production of reporter proteins in stable transgenic plants.

Investigation on Al and AlO Coexist in BiVO for Efficient Methylene Blue Degradation: Insight into Surface States and Charge Separation.

A series of Al-doped BiVO composites have been synthesized via the hydrothermal method for methylene blue (MB) degradation application. The reasons for the improvement of photocatalytic performance was explained from the perspective of optics. Transient photovoltage (TPV) measurements suggested that the surface states have the priority to capture photogenerated carriers, and the AlO surface passivation layer can prolong the lifetime of charge carrier.