Simultaneous Photocatalytic Tetracycline Oxidation and Cr(VI) Reduction by Z-Scheme Multiple Layer TiO/SnInS.

Wastewater pollutants are a major threat to natural resources, with antibiotics and heavy metals being common water contaminants. By harnessing clean, renewable solar energy, photocatalysis facilitates the synergistic removal of heavy metals and antibiotics. In this paper, MXene was both a template and raw material, and MXene-derived oxide (TiO) and SnInS Z-scheme composite materials were synthesized and characterized.

Effects of the SLC38A2-mTOR Pathway Involved in Regulating the Different Compositions of Dietary Essential Amino Acids-Lysine and Methionine on Growth and Muscle Quality in Rabbits.

In recent years, ensuring food security has been an important challenge for the world. It is important to make good use of China’s domestic local feed resources to provide safe, stable, efficient, and high-quality rabbit meat products for China and the world. Lysine and methionine are the two most limiting essential amino acids in the rabbit diet.

Pressure-induced structural phase transitions of zirconium: anstudy based on statistical ensemble theory.

Recently, we put forward a direct integral approach to solve the partition function with ultrahigh efficiency and precision, which enables the rigorous ensemble theory to investigate phase behaviors of realistic condensed matters and has been successfully applied to the phase transition of vanadium metal (Ning2022425404). In this work, the approach is applied to the structural phase transitions of zirconium metal under compressions up to 160 GPa and ultrahigh calculation precision is achieved. For the obtained equation of state with pressure over 40 GPa, the deviations from latest experiments are within0.

Pressure-induced structural phase transition of vanadium: a revisit from the perspective of ensemble theory.

For realistic crystals, the free energy strictly formulated in ensemble theory can hardly be obtained because of the difficulty in solving the high-dimension integral of the partition function, the dilemma of which makes it even a doubt if the rigorous ensemble theory is applicable to phase transitions of condensed matters. In the present work, the partition function of crystal vanadium under compression up to 320 GPa at room temperature is solved by an approach developed very recently, and the derived equation of state is in a good agreement with all the experimental measurements, especially the latest one covering the widest pressure range up to 300 GPa. Furthermore, the derived Gibbs free energy proves the very argument to understand most of the experiments reported in the past decade on the pressure-induced phase transition, and, especially, a novel phase transition sequence concerning three different phases observed very recently and the measured angles of two phases agree with our theoretical results excellently.

Efficient approaches to solutions of partition function for condensed matters.

The key problem of statistical physics standing over one hundred years is how to exactly calculate the partition function (or free energy), which severely hinders the theory to be applied to predict the thermodynamic properties of condensed matters. Very recently, we developed a direct integral approach (DIA) to the solutions and achieved ultrahigh computational efficiency and precision. In the present work, the background and the limitations of DIA were examined in details, and another method with the same efficiency was established to overcome the shortage of DIA for condensed system with lower density.

How accurate for phonon models to predict the thermodynamics properties of crystals.

Previous work has shown that thermodynamics properties calculated by phonon model with quasi-harmonic approximation (QHA) may differ badly from experiment in some cases. The inaccuracy was examined in the present work by comparing the results of QHA for argon and copper crystal with the ones of molecular dynamics simulations, partition functions obtained by a new method or experiment. It is shown that QHA works well for the systems of atomic volume smaller than 22 Å/atom and the accuracy gets lower and lower gradually with increasing of the atomic volume.

A New Model to Predict Optimum Conditions for Growth of 2D Materials on a Substrate.

Deposition of atoms or molecules on a solid surface is a flexible way to prepare various novel two-dimensional materials if the growth conditions, such as suitable surface and optimum temperature, could be predicted theoretically. However, prediction challenges modern theory of material design because the free energy criteria can hardly be applied to this issue due to the long-standing problem in statistical physics of the calculations of the free energy. Herein, we present an approach to the problem by the demonstrations of graphene and γ-graphyne on the surface of copper crystal, as well as silicene on a silver substrate.

Electronic Band Structure and Sub-band-gap Absorption of Nitrogen Hyperdoped Silicon.

We investigated the atomic geometry, electronic band structure, and optical absorption of nitrogen hyperdoped silicon based on first-principles calculations. The results show that all the paired nitrogen defects we studied do not introduce intermediate band, while most of single nitrogen defects can introduce intermediate band in the gap. Considering the stability of the single defects and the rapid resolidification following the laser melting process in our sample preparation method, we conclude that the substitutional nitrogen defect, whose fraction was tiny and could be neglected before, should have considerable fraction in the hyperdoped silicon and results in the visible sub-band-gap absorption as observed in the experiment.

Site-selective substitutional doping with atomic precision on stepped Al (111) surface by single-atom manipulation.

In fabrication of nano- and quantum devices, it is sometimes critical to position individual dopants at certain sites precisely to obtain the specific or enhanced functionalities. With first-principles simulations, we propose a method for substitutional doping of individual atom at a certain position on a stepped metal surface by single-atom manipulation. A selected atom at the step of Al (111) surface could be extracted vertically with an Al trimer-apex tip, and then the dopant atom will be positioned to this site.