Assessment of fine-tuned large language models for real-world chemistry and material science applications.

The current generation of large language models (LLMs) has limited chemical knowledge. Recently, it has been shown that these LLMs can learn and predict chemical properties through fine-tuning. Using natural language to train machine learning models opens doors to a wider chemical audience, as field-specific featurization techniques can be omitted.

Heteroatom Immobilization Engineering toward High-Performance Metal Anodes.

Heteroatom immobilization engineering (HAIE) is becoming a forefront approach in materials science and engineering, focusing on the precise control and manipulation of atomic-level interactions within heterogeneous systems. HAIE has emerged as an efficient strategy to fabricate single-atom sites for enhancing the performance of metal-based batteries. Despite the significant progress achieved through HAIE in metal anodes for metal-based batteries, several critical challenges such as metal dendrites, side reactions, and sluggish reaction kinetics are still present.

Iron-Based Catalysts Derived from Iron-Containing Sludge for Enhanced Catalytic Performance of HS Selective Catalytic Oxidation.

In this work, iron-containing sludge is used to prepare iron-based catalysts for efficient HS selective catalytic oxidation. First, the effect of calcination temperatures on the catalytic activities of HS selective oxidation is carried out and it can be found that S-500 calcined at 500 °C performs excellent catalytic activity. Then, the catalytic performance of the S-500 catalyst is further optimized using alkaline treatment with different concentrations of NaOH solution.

Nitrate reduction to nitrogen in wastewater using mesoporous carbon encapsulated Pd-Cu nanoparticles combined with in-situ electrochemical hydrogen evolution.

The conversion of NO-N to N is of great significance for zero discharge of industrial wastewater. Pd-Cu hydrogenation catalysis has high application prospects for the reduction of NO-N to N, but the existing form of Pd-Cu, the Pd-Cu mass ratio and the H evolution rate can affect the coverage of active hydrogen (*H) on the surface of Pd, thereby affecting N selectivity. In this work, mesoporous carbon (MC) is used as support to disperse Pd-Cu catalyst and is applied in an in-situ electrocatalytic H evolution system for NO-N removal.

Selective removal of thiosulfate from coke oven gas desulfurization wastewater by catalytic wet air oxidation with manganese-based oxide from spent ternary lithium-ion batteries.

Selective and efficient removal of thiosulfates (SO) to recover high-purity and value-added thiocyanate products by fractional crystallization process is a promising route for the resource treatment of coke oven gas desulfurization wastewater. Herein, catalytic wet air oxidation (CWAO), with manganese-based oxide synthesized from spent ternary lithium-ion batteries (MnO-LIBs), was proposed to selectively remove SO from desulfurization wastewater. 98.

Data analysis of the influence of microstructure, composition, and loading conditions on stress corrosion cracking behavior of Mg alloys.

Stress corrosion cracking (SCC) can be a crucial problem in applying rare earth (RE) Magnesium alloys in environments where mechanical loads and electrochemical driven degradation processes interact. It has been proven already that the SCC behavior is associated with microstructural features, compositions, loading conditions, and corrosive media, especially in-vivo. However, it is still unclear when and how mechanisms acting on multiple scales and respective system descriptors predictable contribute to SCC for the wide set of existing Mg alloys.

Study on the diagnostic value of MDCT extramural vascular invasion in preoperative N staging of gastric cancer patients.

Background: To explore the diagnostic value of multidetector computed tomography (MDCT) extramural vascular invasion (EMVI) in preoperative N Staging of gastric cancer patients.

Methods: According to the MR-defined EMVI scoring standard of rectal cancer, we developed a 5-point scale scoring system to evaluate the status of CT-detected extramural vascular invasion(ctEMVI), 0-2 points were ctEMVI-negative status, and 3-4 points were positive status for ctEMVI. Patients were divided into ctEMVI positive group and ctEMVI negative group.

Development and validation of a preoperative CT-based risk scoring system for predicting recurrence-free survival in patients undergoing curative surgery for gastric cancer.

Purpose: The objective of this study was to establish and validate a preoperative risk scoring system that incorporated both clinical and computed tomography(CT) variables to predict recurrence-free survival (RFS) in gastric cancer(GC) patients who underwent curative resection.

Method: We retrospectively included consecutive patients with surgically confirmed GC who underwent preoperative CT scans between October 2017 and January 2022. Multivariate Cox regression analysis was employed in the derivation set to identify clinical and CT variables associated with RFS and to construct a risk score.

Selective and efficient removal of emerging contaminants by sponge-like manganese ferrite synthesized using a solvent-free method: Crucial role of the three-dimensional porous structure.

Ubiquitous macromolecular natural organic matter (NOM) in wastewater seriously influences the removal of emerging small-molecule contaminants via heterogeneous advanced oxidation processes because this material covers active sites and quenches reactive oxygen species. Here, sponge-like magnetic manganese ferrite (MnFeO-S) with a three-dimensional hierarchical porous structure was prepared via a facile solvent-free molten method. Compared with the particle-like structure of MnFeO-P, the sponge-like structure of MnFeO-S presents an enlarged specific surface area (112.

Performance of toluene oxidation on different morphologies of α-MnO prepared using manganese-based compound high-selectively recovered from spent lithium-ion batteries.

The proper disposals of spent lithium-ion batteries (LIBs) and volatile organic compounds (VOCs) both have a significant impact on the environment and human health. In this work, different morphologies of α-MnO catalysts are synthesized using a manganese-based compound as the precursor which is high-selectively recovered from spent lithium-ion ternary batteries. Different synthesis methods including the co-precipitation method, hydrothermal method, and impregnation method are used to prepare different morphologies of α-MnO catalysts and their catalytic activities of toluene oxidation are investigated.

Insight into the Enhanced Removal of Water from Coal Slime via Solar Drying Technology: Dewatering Performance, Solar Thermal Efficiency, and Economic Analysis.

In this work, solar drying technology was applied for the deep dewatering of coal slime to save thermal energy and reduce the dust produced during the hot drying process of coal slime. Solar drying technology is used to dry coal slime to realize its resource utilization. The influence of solar radiation intensity and slime thickness is investigated on the drying process.

High-Throughput Production of 1T MoS Monolayers Based on Controllable Conversion of Mo-Based MXenes.

Although transition metal dichalcogenides (TMDs) monolayers are widely applied in electronics, optics, catalysis, and energy storage, their yield or output is commonly very low (<1 wt % or micrometer level) based on the well-known top-down (, exfoliation) and bottom-up (, chemical vapor deposition) approaches. Here, 1T MoS monolayers with a very high fraction of ∼90% were achieved the conversion of Mo-based MXenes (MoCT and MoCT) at high temperatures in hydrogen sulfide gas, in which the Mo-layer of Mo-based MXenes could be transformed to MoS monolayers and the Mo vacancies facilitate the gliding of sulfur layers to form 1T MoS. The resultant 1T MoS monolayers with numerous vacancies exhibit strong chemisorption and high catalytic activity for lithium polysulfides (LiPSs), delivering a reversible capacity of 736 mAh g at 0.

Sustainably recycling spent lithium-ion batteries to prepare magnetically separable cobalt ferrite for catalytic degradation of bisphenol A via peroxymonosulfate activation.

A selective separation-recovery process based on tuning organic acid was proposed to the resource recycling of spent lithium-ion batteries (LIBs) for the first time. The low-cost preparation of CoFeO, reuse of waste acid and recovery of Li can be realized in this process, simultaneously. Li and Co in spent LIBs can be leached efficiently using citric acid as a leaching agent, and separated effectively from leaching solution by tuning oxalic acid content.

High-Entropy Atomic Layers of Transition-Metal Carbides (MXenes).

High-entropy materials (HEMs) have great potential for energy storage and conversion due to their diverse compositions, and unexpected physical and chemical features. However, high-entropy atomic layers with fully exposed active sites are difficult to synthesize since their phases are easily segregated. Here, it is demonstrated that high-entropy atomic layers of transition-metal carbide (HE-MXene) can be produced via the selective etching of novel high-entropy MAX (also termed M AX (n = 1, 2, 3), where M represents an early transition-metal element, A is an element mainly from groups 13-16, and X stands for C and/or N) phase (HE-MAX) (Ti V Zr Nb Ta ) AlC, in which the five transition-metal species are homogeneously dispersed into one MX slab due to their solid-solution feature, giving rise to a stable transition-metal carbide in the atomic layers owing to the high molar configurational entropy and correspondingly low Gibbs free energy.

Selective Etching Quaternary MAX Phase toward Single Atom Copper Immobilized MXene (TiCCl) for Efficient CO Electroreduction to Methanol.

Single atom catalysts possess attractive electrocatalytic activities for various chemical reactions owing to their favorable geometric and electronic structures compared to the bulk counterparts. Herein, we demonstrate an efficient approach to producing single atom copper immobilized MXene for electrocatalytic CO reduction to methanol selective etching of hybrid A layers (Al and Cu) in quaternary MAX phases (Ti(AlCu)C) due to the different saturated vapor pressures of Al- and Cu-containing products. After selective etching of Al in the hybrid A layers, Cu atoms are well-preserved and simultaneously immobilized onto the resultant MXene with dominant surface functional group (Cl) on the outmost Ti layers (denoted as TiCCl) Cu-O bonds.

Synthesis of MnO derived from spent lithium-ion batteries via advanced oxidation and its application in VOCs oxidation.

In this work, manganese is selectively and efficiently recovered from spent lithium-ion batteries via advanced oxidation by using potassium permanganate and ozone, and the transition metal-doped α-MnO and β-MnO are one-step prepared for catalytic oxidation of VOCs. The recovery rate of manganese can be approximately 100% while the recovery efficiency of cobalt, nickel, and lithium is less than 15%, 2%, and 1%, respectively. Compared with pure α-MnO and β-MnO, transition metal-doped α-MnO and β-MnO exhibit better catalytic performance in toluene and formaldehyde removal attributed to their lower crystallinity, more defects, larger specific surface area, more oxygen vacancies, and better low-temperature redox ability.

Fast Cryomediated Dynamic Equilibrium Hydrolysates towards Grain Boundary-Enriched Platinum Scaffolds for Efficient Methanol Oxidation.

Although platinum nanocrystals have been considered as potential electrocatalysts for methanol oxidation reaction (MOR) in fuel cells, the large-scale practical implementation has been stagnated by their limited abundance, easy poisoning, and low durability. Here, grain boundary-enriched platinum (GB-Pt) scaffolds are produced in large scale via facilely reducing fast cryomediated dynamic equilibrium hydrolysates of platinum salts. Such plentiful platinum grain boundaries are originated from the fast fusion of short platinum nanowires during reduction of the individually and homogeneously dispersed platinum intermediates.

Single Zinc Atoms Immobilized on MXene (TiCCl) Layers toward Dendrite-Free Lithium Metal Anodes.

Lithium (Li) metal has been considered as one of the most prospective anodes for Li-based batteries owing to its high theoretical gravimetric capacity (3860 mAh g) and low potential (-3.04 V standard hydrogen electrode (SHE)). Unfortunately, there commonly exist uncontrollable dendrites in lithium anodes during the repeated plating-stripping processes, causing short cycle life and even short circuiting of lithium batteries.

Rapid and Low-Temperature Salt-Templated Production of 2D Metal Oxide/Oxychloride/Hydroxide.

2D materials have played an important role in electronics, sensors, optics, electrocatalysis, and energy storage. Many methods for the preparation of 2D materials have been explored. It is crucial to develop a high-yield, rapid, and low-temperature method to synthesize 2D materials.

Room-temperature sodium thermal reaction towards electrochemically active metals for lithium storage.

Due to the superior capacity for lithium storage, metallic tin and germanium are considered as one of the candidate anodes for the next generation of lithium ion batteries. Herein, metallic tin and germanium particles are successfully prepared by using a mild replacement reaction between metallic sodium and the corresponding tetrachloride under room temperature. The as-obtained metals exhibit nanocrystals of several nanometers.

Facile fabrication of 2D stanene nanosheets via a dealloying strategy for potassium storage.

In this work, a facile dealloying strategy was developed for the large scale fabrication of 2D stanene nanosheets under ambient conditions. The obtained stanene nanosheets exhibited typical 2D structure with a thickness of 4 nm and a lateral size of several micrometers. Furthermore, the 2D stanene nanosheets displayed outstanding performance in potassium storage.

Few-layer tin-antimony nanosheets: a novel 2D alloy for superior lithium storage.

A novel 2D alloy, free-standing few-layer SnSb nanosheets, is fabricated via a liquid-phase exfoliation approach. The resultant few-layer SnSb possesses ultrathin features (1-4 nm), large aspect ratio, largely exposed surfaces and a precise stoichiometric ratio between Sn and Sb (1 : 1). These few-layer SnSb nanosheets are systematically investigated for lithium storage, and exhibit a high reversible capacity of 694 mA h g, high rate capability and good cycling performance, as we expected.