MXene-based structures have gained tremendous attention in energy storage applications, especially in ion batteries due to their promising electrical conductivity and high energy storage properties. Herein, we studied sulphur-decorated TiC MXene structures for Zn-ion batteries with augmented storage capacity (462.5 mAh g). Moreover, we systematically investigated the adsorption energy, structural stability, electronic band structure, open-circuit voltage and diffusion barrier of the sulphur-decorated TiC MXene using first-principles calculations. Our findings reveal that the studied MXene structures retain metallic characteristics with high open-circuit voltage (1.13 V) and charge transfer of 1.30 ||. Hence, the designed sulphur-modified TiC MXene structures could be considered as promising cathode materials in Zn-ion batteries.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1039/d4nr05204h | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Revealing the chemical compatibility of common solvents and electrolytes with MoTiC-based MXenes and their interfaces in aluminum-ion batteries (AIBs) through first-principles molecular dynamics simulations.
Nanoscale
February 2025
School of Electrical Engineering & State Key Laboratory of Electrical Insulation and Power Equipment, Xi'an Jiaotong University, Xi'an, Shaanxi, 710049, P.R. China.
Using the first-principles molecular dynamics simulations and CI-NEB calculations, we performed a systematic and comprehensive investigation on the chemical compatibility of various solvents (carbonate esters, aromatic solvents, ethers, carboxylic esters, water, DMSO and ionic liquids) and electrolytes (DMC-Al(OTF), DME-Al(OTF), GBL-Al(OTF), HO-Al(SO), DMSO-Al(OTF), [EMIm]Cl-[AlCl] and urea-AlCl) with MoTiC-based MXenes, evaluating their possible use as solvents, additives and electrolytes in aluminum-ion batteries (AIBs). Among the investigated solvents, carbonate ester (DMC), chain ether (DME), aromatic hydrocarbons (benzene, toluene), chain carboxylic ester (GBL), DMSO, ionic liquids ([EMIm]Cl, [DMPI]Cl and [BMP]Cl) and urea showed very low reactivity towards both bare MoTiC and Al-terminated structures (MoTiCAl and MoTiCAl monolayers), indicating their excellent chemical compatibility between these solvents and the MXene cathode. Besides the MoTiC monolayer, a relatively low chemical reactivity was predicted for Al-terminated MXenes after their contact with almost all the solvents considered in this work, even with the relatively more reactive carbonate esters (PC and EC) and ethers (G2 and THF).
View Article and Find Full Text PDFCrTiCT MXene as an adsorbent material in ultrasonic-assisted d-μ-solid phase extraction for trace detection of heavy metals.
Nanoscale
January 2025
Department of Chemistry and Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, Lincoln, Nebraska 68588, USA.
MXenes are a large family of two-dimensional transition metal carbides, nitrides, and carbonitrides. While MXenes have great potential for applications in analytical chemistry, most of the studies in this field are focused on TiCT, the most popular MXene material. For example, several studies employed TiCT as an adsorbent for the trace detection of toxic analytes, but there is limited knowledge on the utility of other MXene materials for this application.
View Article and Find Full Text PDFEfficient activation of peroxymonosulfate by MoTiCT@Co for sustained emerging micropollutant removal: Mo vacancy-mediated activation in Fenton-like reactions.
J Colloid Interface Sci
April 2025
Guangdong Key Laboratory of Environmental Catalysis and Health Risk Control, School of Environmental Science and Engineering, Institute of Environmental Health and Pollution Control, Guangdong University of Technology, Guangzhou 510006, China.
Developing advanced heterogeneous catalysts through structural modifications effectively enhances the catalytic activity of non-homogeneous catalysts for removing emerging micropollutants (EMPs). In this study, MoTiCT@Co with Mo vacancies was synthesized using the Lewis molten salt method, which efficiently activates peroxymonosulfate (PMS) and continuously degrades EMPs in water. The abundant Mo vacancy structure in the material acts as an anchoring site for Co nanoparticles and a co-catalytic site for Fenton-like reactions, enabling PMS adsorption and activation.
View Article and Find Full Text PDFConstruction of MoTiCT MXene as a Superior Carrier to Support Ru-CuO Heterojunctions for Improving Alkaline Hydrogen Oxidation.
ACS Appl Mater Interfaces
December 2024
School of Chemistry and Chemical Engineering, Shaanxi Key Laboratory of Chemical Reaction Engineering, Yan'an University, Yan'an, Shaanxi 716000, People Republic of China.
The sluggish anodic hydrogen oxidation reaction (HOR) of the hydroxide exchange membrane fuel cell (HEMFC) is a significant barrier for practical implementation. Herein, we designed a catalyst of MoTiCT MXene-supported Ru-CuO heterojunctions (named as Ru-CuO/MXene). The XPS spectra and the d-band center data of the different amounts of Cu of the Ru-CuO/MXene suggested that there existed a strongly electronic metal-support interaction between the active species and the substrate with MXene as the excellent carrier.
View Article and Find Full Text PDFPhotothermal Nano-Immunotherapy Against Methicillin-Resistant Staphylococcus aureus (MRSA) Biofilm Infections.
Adv Healthc Mater
January 2025
Department of Sports Injury and Arthroscopic Surgery, The First Affiliated Hospital of Anhui Medical University, Hefei, 230001, China.
Article Synopsis
- - Methicillin-resistant Staphylococcus aureus (MRSA) biofilm infections are difficult to treat due to antibiotic resistance and the senescence of immune cells, which supports biofilm formation.
- - Researchers have developed Ti₃C₂ MXene-PVA nanosheets loaded with metformin (Met@TiC) that use near-infrared light for photothermal effects, directly killing biofilms and enhancing immune response through the rejuvenation of senescent macrophages.
- - The effectiveness of the Met@TiC nanoplatform has been validated through lab tests and in a mouse model of MRSA biofilm infection, showing promise as a new treatment strategy for combating these infections.
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!