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Ti3C2 MXene
MICROCHEMICAL JOURNAL · 2025 · IF 5.1

Efficient S-TiO2@Ti3C2 MXene electrochemical platform combined with machine learning strategies for high-accuracy simultaneous analysis of Cu2+ and Hg2+ in water samples

Yiji Chen,Liang He,Shirong Ai,Hang Yao,Aihua Xiong,Li Li,Jiang Li,Zhongshou Liu,Yansha Gao,Ruimei Wu,Limin Lu

Simultaneous and accurate analysis of multiple heavy metals (HMs) in environment by electrochemical method still faces huge challenges, such as complex experimental process, low detection efficiency and the interference arising from electrochemical interactions between different HMs. To address these issues, we propose a sensing platform combining S-TiO 2 @Ti 3 C 2 MXene with machine learning strategies for simultaneous electrochemical detection of Cu 2+ and Hg 2+ in water samples. Specifically, surface morphology and crystal structure of S-TiO 2 @Ti 3 C 2 were characterized via SEM, XRD, and XPS. Electrochemical behaviors were systematically investigated using cyclic voltammetry (CV) and differential pulse voltammetry (DPV). Orthogonal test-based multi-objective optimization method integrated with comprehensive balance approach were employed to determine the optimal sensing parameters, which were identified pH of 4.5, deposition time of 210 s, and deposition potential of −1.5 V. The fabricated sensor exhibited high sensitivities of 44.122 and 143.795 μA·L·mg −1 , low limits of detection of 0.392 and 0.093 μg·L −1 , and broad linear ranges of 0.001–1000 μg·L −1 for Cu 2+ and Hg 2+ , respectively. Furthermore, machine learning strategy was introduced to resolve the poor accuracy issue associated with traditional calibration curve analysis for the simultaneous detection of Cu 2+ and Hg 2+ across the entire linear range. The results indicated that minimum Redundancy Maximum Relevance (mRMR) algorithm effectively extracted valuable and critical information of Cu 2+ and Hg 2+ from the full voltammetric curves, and the constructed support vector machine (SVM) model remarkably improved detection accuracy. The reliability of the proposed SVM model was validated through simultaneous detection of HMs in actual environmental water samples, yielding favorable recovery rates.

CAS / MDL: 12070-08-5
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Journal of Cleaner Production · 2024 · IF 9.7

Electrostatic self-assembled nickel cobalt sulfide/Ti3C2 Mxene as a bio-capacitive anode for specific attracting sulfur-cycling bacteria and regulating extracellular electron transfer efficiency

Haitao Xu,Ye Chen,Qing Wen,Cunguo Lin,Haiping Gao,Zhenghui Qiu,Liuqingying Yang,Xu Pan

Microbial fuel cells have been proposed as one of the sustainable and potential technologies for treating contaminants and synchronously producing green energy. However, the poor performance of the anode is a major obstacle in the practical application of MFCs. To address this challenge, the rational design of anode materials with enhanced biocatalytic and biocompatible properties has been considered as an effective approach to improve extracellular electron transfer (EET) processes and general MFC performance . Herein, in light of the interaction between the transition metal and exoelectrogens, nickel-cobalt sulfide/Ti 3 C 2 Mxene (NiCo 2 S 4 /Mxene) is prepared by electrostatic assembly, which combined positively charged sea-urchin-like NiCo 2 S 4 with negatively charged Mxene. This not only prevents the stacking of NiCo 2 S 4 and Mxene but also accelerates the EET process by harnessing their biocompatibility and biocatalyst. As expected, the MFC with NiCo 2 S 4 /Mxene harvested higher electricity energy (9.66 ± 0.28 W/m 3 ), significantly exceeded those of plain carbon felt (CF, 1.68 ± 0.13 W/m 3 ), Mxene (4.32 ± 0.20 W/m 3 ) and NiCo 2 S 4 (5.41 ± 0.22 W/m 3 ). Moreover, the microbial community analysis further revealed that the sulfide composite attracts a higher percentage of sulfur-cycling exoelectrogens (Desulfuromonas (24.25%) and Marinobacterium (15.75%)), motivating associated metabolic pathways with more efficient electricity generation processes. Such commendable performances are mainly attributed to the synergistic effect between NiCo 2 S 4 and Mxene, which confers the bioanode with good biocompatibility and biocatalyst for biofilm adhesion and colonization, as well as providing abundant transition metals and sulfide active sites for the EET process. Our finding provides a facile routine for developing sulfide with appropriate modification as anode material for favorable performance of MFC, providing insights for sustainable and cleaner energy production in the future.

CAS / MDL: 7789-24-4
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Journal of Water Process Engineering · 2024 · IF 6.3

Interface engineering of Ti3C2 MXene assisted anatase/rutile TiO2 with hetero-phase junction for enhancing the photocatalytic activity of tetracycline hydrochloride removal and H2 production

Jianan Dai,Chao Wu,Jing Ma,Shu-Hao Chang,Weiwei Liu

The conventional heterojunction formed by combining two different semiconductors is associated with issues of low compatibility, restricted intimate contact, and limited charge anti-recombination process. To address these issues, a simple strategy was adopted to fabricate a hetero-phase junction flanked with two dissimilar crystal phases of a single semiconducting material . This study employed TiB 2 as the initial material to fabricate an anatase/rutile TiO 2 hetero-phase junction material (AR-TiO 2 ), followed by its combination with highly conductive monolayer Ti 3 C 2 nanosheets to develop an AR-TiO 2 /Ti 3 C 2 composite photocatalyst . The photocatalyst displayed a wide range of light absorption and a remarkable capability for separating photogenerated carriers. The closely interconnected hetero-phase junction surface, formed by the rutile and anatase phases of AR-TiO 2 , combined with the incorporation of highly conductive Ti 3 C 2 nanosheets , synergistically increased the availability of multi-dimensional active sites and increased the efficacy of separating photogenerated electron pairs. The optimized AR-TiO 2 /Ti 3 C 2 achieved a degradation efficiency of 91.49 % for tetracycline hydrochloride (TCH) within 2 h and produced 1005.81 μmol of hydrogen in 6 h. The impacts of initial pH, co-existing anions, initial TCH concentration, initial temperature, and various pollutant species on the catalytic efficiency were also investigated. pH was shown to have the greatest impact on the photocatalytic performance of AR-TiO 2 /Ti 3 C 2 for TCH degradation. •O 2 − , and h + were identified as the primary reactive species that enabled the photocatalytic performance of AR-TiO 2 /Ti 3 C 2 through trapping experiments. This study presents a novel method to synthesize hetero-phase junction photocatalysts and suggests that Ti 3 C 2 has potential prospects for use in photocatalysis .

CAS / MDL: 12045-63-5
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FUEL · 2025 · IF 7.5

Asymmetric Co-Ov-Ti in hierarchical platelet-spherical structure Co NCs/Ti3C2 MXene for simultaneous and competitive catalytic oxidation of Hg0 and CO in flue gas

Yongpeng Ma,Jianghui Du,Yifei Wu,Haobing Yan,Ruiqi Liu,Xiaojing Zhang,Hongzhong Zhang,Liming Zhou,Wenjun Huang

Among the diverse pollutants emitted from coal-fired and non-ferrous metal smelting flue gas, Hg 0 and CO have emerged as globally concerning environmental pollutants. However, the simultaneous abatement of multiple pollutants remains a critical challenge to be addressed. In this study, cobalt nanoclusters (Co NCs) were anchored on the terminal oxygen of Ti-O on Ti 3 C 2 MXene and formed asymmetric oxygen vacancies Co-Ov-Ti via a one-step hydrothermal method, yielding Co NCs/Ti 3 C 2 MXene with a morphology of hierarchical nanosheet-assembled spheres for Hg 0 and CO catalytic oxidation. Co NCs/Ti 3 C 2 MXene exhibited excellent 44 % and 52 % of Hg 0 and CO simultaneous removal efficiency at the optimal temperature of 250 °C, respectively. DFT calculations combined with energy barrier modeling were employed to investigate the reaction pathways and energy variations during the catalytic oxidation of Hg 0 and CO. Specifically, Hg 0 oxidation follows the Eley-Rideal mechanism, with a rate-determining energy barrier of 2.11 eV, while CO oxidation adheres to the Langmuir-Hinshelwood mechanism, featuring a rate-determining barrier of 0.17 eV. In the co-catalytic oxidation process, competitive adsorption between Hg 0 and CO was observed, primarily manifested as competition for Ov on the catalyst surface. This study provides a novel strategy for the synergistic control of multi-pollutants in industrial flue gas.

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SEPARATION AND PURIFICATION TECHNOLOGY · 2022 · IF 9.136

N and S co-doping of TiO2@C derived from in situ oxidation of Ti3C2 MXene for efficient persulfate activation and sulfamethoxazole degradation under visible light

Shuyi Shen,Tao Ke,Dike Fang,Daohui Lin

Visible-light-driven photocatalysts with synergistic persulfate (PS) activation and photocatalysis possess enormous pollution-control potential. Herein, nitrogen and sulphur co-doped TiO 2 @C hybrid (N/S-TiO 2 @C) featuring the complementary visible-light photocatalysis and synergetic PS activation was synthesized by in situ oxidation of Ti 3 C 2 MXene and thereafter co-doping with N and S. Both anatase and rutile phases of TiO 2 were attained in N/S-TiO 2 @C. The decrease of TiO 2 bandgap (about 1.81 eV) and the defect of carbon layer caused by the N and S co-doping in both TiO 2 crystal and carbon layer enabled the synergistic enhancement of PS activation and photocatalysis. Complete degradation and 93.4% mineralization of sulfamethoxazole (SMZ, 10 mg/L) were achieved by dosing PS (2 mM) and N/S-TiO 2 @C (0.4 g/L) under visible light within 30 min. The degradation rate by N/S-TiO 2 @C through PS activation under visible light was 27.9-, 11.1-, and 2.30-fold higher than that by PS, N-TiO 2 @C, and S-TiO 2 @C alone, respectively. Reactive species SO 4 − , 1 O 2 , OH, and O 2 − , especially the former two, were determined dominating the SMZ degradation, and the degradation pathways were illustrated through intermediates identification. Moreover, N/S-TiO 2 @C kept excellent performance in activating PS to degrade SMZ in real water samples. These results indicate that N/S-TiO 2 @C is a stable and promising PS activator under visible light and has a good application potential in organic wastewater treatment.

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CHEMICAL ENGINEERING SCIENCE · 2026 · IF 5.1

High-Efficiency removal of Cu2+, Zn2+, and Mg2+ from contaminated water using a conductive hydrogel based on gellan Gum/Ti3C2 MXene/PEDOT-S:H/Aluminum oxide silicate composite

Yanfang Guan,Kasolo Enock,Bei Zhou,Zhenxiang Qi,Muhammad Shahid Nadeem,Junqiang Chen,Zeng Shujie,Yixin Hu,Zihan Wu,Jingxin Wang,Jinchu Yang,Li Peng,Wei Xinxin,Longwang Yue,Song Yuchen,Limin Li,Changwei Zhu

Industrial wastewater contamination by heavy metal ions such as Cu 2+ and Zn 2+ poses severe threats to the ecosystems and human health, with traditional adsorbents limited by high costs, low adsorption capacities, poor mechanical stability, and slow kinetics. To address these problems and to improve adsorption performance, this study developed a novel hydrogel composite composed of Gellan gum, Ti 3 C 2 MXene, Poly(3,4-ethylenedioxythiophene): sulfonate (PEDOT-S:H), and aluminum oxide silicate, named GMPA. The GMPA composite, optimized at a mass ratio of 20:2.25:4:2.5, was characterized and exhibited enhanced mechanical properties, improved thermal stability, and a high density of active binding sites. Under optimal conditions (1.2 g/L adsorbent dose, pH levels of 5.9–9.5, and adsorption duration of 30–300 min), the composite removed Zn 2+ , Cu 2+ , and Mg 2+ from a 50 mg/L metal ion solution with removal efficiencies of 99%, 77.1%, and 80% respectively, with capacities of 42.81 mg/g for Zn 2+ , 26.32 mg/g for Cu 2+ , and 21.51 mg/g for Mg 2+ . Kinetics followed the pseudo-first and second order models, indicating chemisorption and physisorption-influenced mechanisms. This novel hydrogel enables applications in water purification and the removal of heavy metals from aqueous environments.

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