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The Way Forward in MXenes Materials

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A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Applied Chemistry".

Deadline for manuscript submissions: closed (31 January 2025) | Viewed by 20431

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Dr. Tej B. Limbu

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Guest Editor

College of Science and Engineering, University of Houston-Clear Lake, Houston, TX 77058, USA
Interests: 2D nanomaterials; synthesis and engineering; surface-enhanced raman scattering; thermal transport in nanomaterials; electronic propoerties
Special Issues, Collections and Topics in MDPI journals

Dr. Asif Shahzad

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Guest Editor

Department of Materials Science and Engineering, Uppsala University, Uppsala, Sweden
Interests: low-dimenssional advanced materials; 2D materials for energy and enviromental apalications

Special Issue Information

Dear Colleagues,

MXenes have attracted significant attention in recent years as a new class of two-dimensional (2D) materials similar to Graphene nanosheets. These highly promising materials have unique properties and significant potential applications in various fields.

MXenes are transition metal carbides, nitrides, or carbonitrides that can be synthesized from their corresponding MAX phases by selectively etching the A layer. They possess high electrical conductivity, excellent mechanical strength, and a large surface area, making them ideal for applications such as energy storage, electronic devices, catalysis, environment, and biomedical devices.

As the field of MXenes advances, several research avenues can be explored to further the development of this exciting area. One area of research is to synthesize new MXenes with specific properties suitable for particular applications. Researchers can explore new MAX phases and develop new etching methods to produce MXenes with novel properties, such as improved conductivity or selectivity for catalytic reactions.

Another research area is the development of scalable synthesis methods for MXenes. Currently, most MXene synthesis methods are time consuming and labor intensive, which limits their practical applications. Therefore, developing more efficient and cost-effective synthesis methods will make MXenes more accessible for industrial applications. To unlock MXenes’ full potential, researchers need to investigate fundamental aspects, such as their electronic and optical properties, to better understand their behavior and potential applications. Studying MXenes under different conditions, such as temperature and pressure, can provide insights into their behavior and help identify new applications. Furthermore, exploring the potential applications of MXenes in various fields, such as energy storage, catalysis, and electronic devices, is highly beneficial. Their improved conductivity and hydrophilicity make them highly suitable for a wide range of potential applications, such as energy storage, polymer nanocomposite fillers, water purification, transparent optical conductive coatings, electromagnetic shielding/absorption, and electronic devices. MXenes have already demonstrated promising results in these areas, and further research will help optimize their properties for specific applications and develop new ones. Overall, the field of MXenes is still in its infancy, and there is vast potential for further research and development. Focusing on synthesis, fundamental properties, and applications can unlock the full potential of MXenes and advance the field toward practical applications.

We are pleased to invite you to submit to this Special Issue. We are seeking full papers, communications, and reviews that cover novel synthesis techniques, including fluoride-free synthesis and structure–property relationships, up-scaling, applications, and future directions of parent MAX phases, MXenes, and their derivatives and composite materials, among other relevant topics.

Dr. Tej B. Limbu
Dr. Asif Shahzad
Guest Editors

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Keywords

MAX phase
2D MXene
MXene derivatives
fluoride-free synthesis
energy storage
EMI
photovoltaic cell
catalysis
water purification

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Published Papers (13 papers)

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Research

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25 pages, 13843 KiB

Open AccessArticle

Sustainable MXene Synthesis via Molten Salt Method and Nano-Silicon Coating for Enhanced Lithium-Ion Battery Performance

by Hansu Kim, Yunki Jung, Wonhwa Lee, Young-Pyo Jeon, Jin-Yong Hong and Jea Uk Lee

Molecules 2025, 30(4), 812; https://doi.org/10.3390/molecules30040812 - 10 Feb 2025

Cited by 1 | Viewed by 1012

Abstract

MXenes, a family of 2D transition metal carbides, nitrides, and carbonitrides, have attracted significant attention due to their exceptional physicochemical properties and electrochemical performance, making them highly promising for diverse applications, particularly in energy storage. Despite notable advancements, MXene synthesis remains a critical challenge, as conventional methods often rely on hazardous hydrofluoric acid-based processes, posing substantial environmental and safety risks. In this study, we present an eco-friendly synthesis approach for MXenes using molten salt processes, which offer a safer, sustainable alternative while enabling scalable production. Additionally, we explore the development of high-performance battery anodes by fabricating nanocomposites of nano-silicon and MXene, followed by a bio-inspired polydopamine coating and carbonization process. This innovative strategy not only enhances the structural stability and electrochemical performance of the anodes but also aligns with environmentally conscious design principles. Our findings demonstrate the potential of eco-friendly MXene synthesis and nanocomposite materials in advancing sustainable energy storage technologies. Full article

(This article belongs to the Special Issue The Way Forward in MXenes Materials)

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15 pages, 6258 KiB

Open AccessArticle

MXene-Reinforced Composite Cryogel Scaffold for Neural Tissue Repair

by Mohamed Zoughaib, Svetlana Avdokushina and Irina N. Savina

Molecules 2025, 30(3), 479; https://doi.org/10.3390/molecules30030479 - 22 Jan 2025

Viewed by 971

Abstract

The development of effective materials for neural tissue repair remains a major challenge in regenerative medicine. In this study, we present a novel MXene-reinforced composite cryogel scaffold designed for neural tissue regeneration. MXenes, a class of two-dimensional materials with high conductivity and biocompatibility, were integrated into a polyvinyl alcohol (PVA) matrix via cryopolymerization to form a macroporous, mechanically stable scaffold. The morphology, mechanical properties, and swelling behavior of the cryogel with different MXene contents have been assessed. The effects of MXene on the viability/proliferation and differentiation of neural cells (PC-12) cultured in the composite cryogel were elucidated. The MXene/PVA cryogel demonstrated excellent cell-supporting potential, with MXene not only showing no toxicity but also promoting the proliferation of cultured PC-12. Additionally, MXene induced a neuritogenesis-like process in the cells as evidenced by morphological changes and the enhanced expression of the neural marker β-III-tubulin. The neuroprotective properties of the MXene component were revealed by the alleviation of oxidative stress and reduction of intracellular ROS levels. These findings highlight the potential of MXene-embedded PVA cryogel as a promising material that can be further used in conjunction with electrostimulation therapy for advancing strategies in neural tissue engineering. Full article

(This article belongs to the Special Issue The Way Forward in MXenes Materials)

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13 pages, 3989 KiB

Open AccessArticle

Preparation of a Silicon/MXene Composite Electrode by a High-Pressure Forming Method and Its Application in Li⁺-Ion Storage

by Yonghao Liu, Dawei Zhao, Lujia Cong, Yanfeng Han, Mingdi Fu, Xiaoxin Wu and Junkai Zhang

Molecules 2025, 30(2), 297; https://doi.org/10.3390/molecules30020297 - 13 Jan 2025

Viewed by 697

Abstract

The main component of high-capacity silicon-based electrodes is silicon powder, which necessitates intricate processing to minimize volume growth and powder separation while guaranteeing the ideal Si content. This work uses the an situ high-pressure forming approach to create an MXene/m-Si/MXene composite electrode, where MXene refers to Ti₃C₂T_X, and m-Si denotes two-phase mixed nano-Si particles. The sandwich shape promotes silicon’s volume growth and stops active particles from spreading. The conductive structure of Ti₃C₂T_X MXene increases the efficiency of charge transfer while reducing internal resistance. After 100 cycles, the composite electrode’s original capacity of 1310.9 mAh g⁻¹ at a current density of 0.5 A g⁻¹ is maintained at 781.0 mAh g⁻¹. These findings lay the foundation for further investigations into Si matrix composite electrodes. Full article

(This article belongs to the Special Issue The Way Forward in MXenes Materials)

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11 pages, 6610 KiB

Open AccessArticle

Molecular Dynamics Study of Bending Deformation of Mo₂Ti₂C₃ and Ti₄C₃ (MXenes) Nanoribbons

by Vadym Borysiuk, Iakov A. Lyashenko and Valentin L. Popov

Molecules 2024, 29(19), 4668; https://doi.org/10.3390/molecules29194668 - 1 Oct 2024

Cited by 1 | Viewed by 1178

Abstract

We report a computational study of the bending deformation of two-dimensional nanoribbons by classical molecular dynamics methods. Two-dimensional double transition metal carbides, together with monometallic ones, belong to the family of novel nanomaterials, so-called MXenes. Recently, it was reported that within molecular dynamics simulations, Ti₄C₃ MXene nanoribbons demonstrated higher resistance to bending deformation than thinner Ti₂C MXene and other two-dimensional materials, such as graphene and molybdenum disulfide. Here, we apply a similar method to that used in a previous study to investigate the behavior of Mo₂Ti₂C₃ nanoribbon under bending deformation, in comparison to the Ti₄C₃ sample that has a similar structure. Our calculations show that Mo₂Ti₂C₃ is characterized by higher bending rigidity at

D_{{Ti}_{2} {Mo}_{2} C_{3}} \approx 92.15

eV than monometallic Ti₄C₃ nanoribbon at

D_{{Ti}_{4} C_{3}} \approx 72.01

eV, which has a similar thickness. Moreover, approximately the same magnitude of critical central deflection of the nanoribbon before fracture was observed for both Mo₂Ti₂C₃ and Ti₄C₃ samples,

w_{c} \approx 1.7

nm, while Mo₂Ti₂C₃ MXene is characterized by almost two times higher critical value of related external force. Full article

(This article belongs to the Special Issue The Way Forward in MXenes Materials)

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13 pages, 4436 KiB

Open AccessArticle

The Simultaneous Detection of Dopamine and Uric Acid In Vivo Based on a 3D Reduced Graphene Oxide–MXene Composite Electrode

by Lingjun Shang, Ruijiao Li, Haojie Li, Shuaiqun Yu, Xuming Sun, Yi Yu and Qiongqiong Ren

Molecules 2024, 29(9), 1936; https://doi.org/10.3390/molecules29091936 - 24 Apr 2024

Cited by 3 | Viewed by 1461

Abstract

Dopamine (DA) and uric acid (UA) are essential for many physiological processes in the human body. Abnormal levels of DA and UA can lead to multiple diseases, such as Parkinson’s disease and gout. In this work, a three-dimensional reduced graphene oxide–MXene (3D rGO-Ti₃C₂) composite electrode was prepared using a simple one-step hydrothermal reduction process, which could separate the oxidation potentials of DA and UA, enabling the simultaneous detection of DA and UA. The 3D rGO-Ti₃C₂ electrode exhibited excellent electrocatalytic activity towards both DA and UA. In 0.01 M PBS solution, the linear range of DA was 0.5–500 µM with a sensitivity of 0.74 µA·µM⁻¹·cm⁻² and a detection limit of 0.056 µM (S/N = 3), while the linear range of UA was 0.5–60 µM and 80–450 µM, with sensitivity of 2.96 and 0.81 µA·µM⁻¹·cm⁻², respectively, and a detection limit of 0.086 µM (S/N = 3). In 10% fetal bovine serum (FBS) solution, the linear range of DA was 0.5–500 µM with a sensitivity of 0.41 µA·µM⁻¹·cm⁻² and a detection limit of 0.091 µM (S/N = 3). The linear range of UA was 2–500 µM with a sensitivity of 0.11 µA·µM⁻¹·cm⁻² and a detection limit of 0.6 µM (S/N = 3). The modified electrode exhibited advantages such as high sensitivity, a strong anti-interference capability, and good repeatability. Furthermore, the modified electrode was successfully used for DA measurement in vivo. This could present a simple reliable route for neurotransmitter detection in neuroscience. Full article

(This article belongs to the Special Issue The Way Forward in MXenes Materials)

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23 pages, 4338 KiB

Open AccessArticle

The Impact of Surface Chemistry and Synthesis Conditions on the Adsorption of Antibiotics onto MXene Membranes

by Moyosore A. Afolabi, Dequan Xiao and Yongsheng Chen

Molecules 2024, 29(1), 148; https://doi.org/10.3390/molecules29010148 - 26 Dec 2023

Cited by 3 | Viewed by 1631

Abstract

MXene, a two-dimensional (2D) nanomaterial with diverse applications, has gained significant attention due to its 2D lamellar structure, abundance of surface groups, and conductivity. Despite various established synthesis methods since its discovery in 2011, MXenes produced through different approaches exhibit variations in structural and physicochemical characteristics, impacting their suitability for environmental application. This study delves into the effect of synthesis conditions on MXene properties and its adsorption capabilities for four commonly prescribed antibiotics. We utilized material characterization techniques to differentiate MXenes synthesized using three prevalent etchants: hydrofluoric acid (HF), mixed acids (HCl/HF), and fluoride salts (LiF/HCl). Our investigation of adsorption performance included isotherm and kinetic analysis, complemented by density functional theory calculations. The results of this research pinpointed LiF/HCl as an efficient etchant, yielding MXene with favorable morphology and surface chemistry. Electrostatic interactions and hydrogen bonding between MXene surface terminations and ionizable moieties of the antibiotic molecules emerge as pivotal factors in adsorption. Specifically, a higher presence of oxygen terminations increases the binding affinities. These findings provide valuable guidance for etchant selection in environmental applications and underscore the potential to tailor MXenes through synthesis conditions to design membranes capable of selectively removing antibiotics and other targeted substances. Full article

(This article belongs to the Special Issue The Way Forward in MXenes Materials)

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16 pages, 4080 KiB

Open AccessFeature PaperArticle

Enhancing Lithium-Sulfur Battery Performance by MXene, Graphene, and Ionic Liquids: A DFT Investigation

by Jianghui Cao, Sensen Xue, Jian Zhang, Xuefeng Ren, Liguo Gao, Tingli Ma and Anmin Liu

Molecules 2024, 29(1), 2; https://doi.org/10.3390/molecules29010002 - 19 Dec 2023

Viewed by 2075

Abstract

The efficacy of lithium-sulfur (Li-S) batteries crucially hinges on the sulfur immobilization process, representing a pivotal avenue for bolstering their operational efficiency and durability. This dissertation primarily tackles the formidable challenge posed by the high solubility of polysulfides in electrolyte solutions. Quantum chemical computations were leveraged to scrutinize the interactions of MXene materials, graphene (Gr) oxide, and ionic liquids with polysulfides, yielding pivotal binding energy metrics. Comparative assessments were conducted with the objective of pinpointing MXene materials, with a specific focus on d-Ti₃C₂ materials, evincing augmented binding energies with polysulfides and ionic liquids demonstrating diminished binding energies. Moreover, a diverse array of Gr oxide materials was evaluated for their adsorption capabilities. Scrutiny of the computational outcomes unveiled an augmentation in the solubility of selectively screened d-Ti₃C₂ MXene and ionic liquids—vis à vis one or more of the five polysulfides. Therefore, the analysis encompasses an in-depth comparative assessment of the stability of polysulfide adsorption by d-Ti₃C₂ MXene materials, Gr oxide materials, and ionic liquids across diverse ranges. Full article

(This article belongs to the Special Issue The Way Forward in MXenes Materials)

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81 pages, 20686 KiB

Open AccessFeature PaperReview

A Review on Multifunctional Polymer–MXene Hybrid Materials for Electronic Applications

by Fatemeh Morshedi Dehaghi, Mohammad Aberoumand and Uttandaraman Sundararaj

Molecules 2025, 30(9), 1955; https://doi.org/10.3390/molecules30091955 - 28 Apr 2025

Viewed by 168

Abstract

MXenes, a family of two-dimensional (2D) transition metal carbides, carbonitrides, and nitrides, have emerged as a promising class of nanomaterials for interdisciplinary applications due to their unique physiochemical properties. The large surface area, excellent electrical conductivity, superior mechanical properties, and abundant possible functional groups make this layered nanomaterial an ideal candidate for multifunctional hybrid materials for electronic applications. This review highlights recent progress in MXene-based hybrid materials, focusing on their electrical, dielectric, and electromagnetic interference (EMI) shielding properties, with an emphasis on the development of multifunctionality required for advanced electronic devices. The review explores the multifunctional nature of MXene-based polymer nanocomposites and hybrid materials, covering the coexistence of a diverse range of properties, including sensory capabilities, electromagnetic interference shielding, energy storage, and the Joule heating phenomenon. Finally, the future outlook and key challenges are summarized, offering insights to guide future research aimed at improving the performance and functionality of MXene–polymer nanocomposites. Full article

(This article belongs to the Special Issue The Way Forward in MXenes Materials)

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27 pages, 2892 KiB

Open AccessReview

Ti₃C₂T_x MXene-Based Hybrid Photocatalysts in Organic Dye Degradation: A Review

by Tank R. Seling, Mackenzie Songsart-Power, Amit Kumar Shringi, Janak Paudyal, Fei Yan and Tej B. Limbu

Molecules 2025, 30(7), 1463; https://doi.org/10.3390/molecules30071463 - 26 Mar 2025

Viewed by 579

Abstract

This review provides an overview of the fabrication methods for Ti₃C₂T_x MXene-based hybrid photocatalysts and evaluates their role in degrading organic dye pollutants. Ti₃C₂T_x MXene has emerged as a promising material for hybrid photocatalysts due to its high metallic conductivity, excellent hydrophilicity, strong molecular adsorption, and efficient charge transfer. These properties facilitate faster charge separation and minimize electron–hole recombination, leading to exceptional photodegradation performance, long-term stability, and significant attention in dye degradation applications. Ti₃C₂T_x MXene-based hybrid photocatalysts significantly improve dye degradation efficiency, as evidenced by higher percentage degradation and reduced degradation time compared to conventional semiconducting materials. This review also highlights computational techniques employed to assess and enhance the performance of Ti₃C₂T_x MXene-based hybrid photocatalysts for dye degradation. It identifies the challenges associated with Ti₃C₂T_x MXene-based hybrid photocatalyst research and proposes potential solutions, outlining future research directions to address these obstacles effectively. Full article

(This article belongs to the Special Issue The Way Forward in MXenes Materials)

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24 pages, 5158 KiB

Open AccessReview

Progress in MXenes and Their Composites as Electrode Materials for Electrochemical Sensing and Dye-Sensitized Solar Cells

by Sanjeevamuthu Suganthi, Khursheed Ahmad and Tae Hwan Oh

Molecules 2024, 29(22), 5233; https://doi.org/10.3390/molecules29225233 - 5 Nov 2024

Cited by 1 | Viewed by 1341

Abstract

In the present mini-review article, we have compiled the previously reported literature on the fabrication of MXenes and their hybrid composite materials based electrochemical sensors for the determination of phenolic compounds and counter electrodes for platinum (Pt)-free dye-sensitized solar cells (DSSCs). MXenes are two-dimensional (2D) materials with excellent optoelectronic and physicochemical properties. MXenes and their composite materials have been extensively used in the construction of electrochemical sensors and solar cell applications. In this paper, we have reviewed and compiled the progress in the construction of phenolic sensors based on MXenes and their composite materials. In addition, co1.unter electrodes based on MXenes and their composites have been reviewed for the development of Pt-free DSSCs. We believe that the present review article will be beneficial for the researchers working towards the development of phenolic sensors and DSSCs using MXenes and their composites as electrode materials. Full article

(This article belongs to the Special Issue The Way Forward in MXenes Materials)

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29 pages, 8267 KiB

Open AccessReview

A Comparative Review of Graphene and MXene-Based Composites towards Gas Sensing

by Pushpalatha Vijayakumar Vaishag and Jin-Seo Noh

Molecules 2024, 29(19), 4558; https://doi.org/10.3390/molecules29194558 - 25 Sep 2024

Cited by 3 | Viewed by 3026

Abstract

Graphene and MXenes have emerged as promising materials for gas sensing applications due to their unique properties and superior performance. This review focuses on the fabrication techniques, applications, and sensing mechanisms of graphene and MXene-based composites in gas sensing. Gas sensors are crucial in various fields, including healthcare, environmental monitoring, and industrial safety, for detecting and monitoring gases such as hydrogen sulfide (H₂S), nitrogen dioxide (NO₂), and ammonia (NH₃). Conventional metal oxides like tin oxide (SnO₂) and zinc oxide (ZnO) have been widely used, but graphene and MXenes offer enhanced sensitivity, selectivity, and response times. Graphene-based sensors can detect low concentrations of gases like H₂S and NH₃, while functionalization can improve their gas-specific selectivity. MXenes, a new class of two-dimensional materials, exhibit high electrical conductivity and tunable surface chemistry, making them suitable for selective and sensitive detection of various gases, including VOCs and humidity. Other materials, such as metal-organic frameworks (MOFs) and conducting polymers, have also shown potential in gas sensing applications, which may be doped into graphene and MXene layers to improve the sensitivity of the sensors. Full article

(This article belongs to the Special Issue The Way Forward in MXenes Materials)

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36 pages, 9117 KiB

Open AccessReview

Research Progress on Ti₃C₂T_x-Based Composite Materials in Antibacterial Field

by Huangqin Chen, Yilun Wang, Xuguang Chen, Zihan Wang, Yue Wu, Qiongqiao Dai, Wenjing Zhao, Tian Wei, Qingyuan Yang, Bin Huang and Yuesheng Li

Molecules 2024, 29(12), 2902; https://doi.org/10.3390/molecules29122902 - 18 Jun 2024

Cited by 1 | Viewed by 2211

Abstract

The integration of two-dimensional Ti₃C₂T_x nanosheets and other materials offers broader application options in the antibacterial field. Ti₃C₂T_x-based composites demonstrate synergistic physical, chemical, and photodynamic antibacterial activity. In this review, we aim to explore the potential of Ti₃C₂T_x-based composites in the fabrication of an antibiotic-free antibacterial agent with a focus on their systematic classification, manufacturing technology, and application potential. We investigate various components of Ti₃C₂T_x-based composites, such as metals, metal oxides, metal sulfides, organic frameworks, photosensitizers, etc. We also summarize the fabrication techniques used for preparing Ti₃C₂T_x-based composites, including solution mixing, chemical synthesis, layer-by-layer self-assembly, electrostatic assembly, and three-dimensional (3D) printing. The most recent developments in antibacterial application are also thoroughly discussed, with special attention to the medical, water treatment, food preservation, flexible textile, and industrial sectors. Ultimately, the future directions and opportunities are delineated, underscoring the focus of further research, such as elucidating microscopic mechanisms, achieving a balance between biocompatibility and antibacterial efficiency, and investigating effective, eco-friendly synthesis techniques combined with intelligent technology. A survey of the literature provides a comprehensive overview of the state-of-the-art developments in Ti₃C₂T_x-based composites and their potential applications in various fields. This comprehensive review covers the variety, preparation methods, and applications of Ti₃C₂T_x-based composites, drawing upon a total of 171 English-language references. Notably, 155 of these references are from the past five years, indicating significant recent progress and interest in this research area. Full article

(This article belongs to the Special Issue The Way Forward in MXenes Materials)

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23 pages, 3707 KiB

Open AccessReview

Structure, Synthesis, and Catalytic Performance of Emerging MXene-Based Catalysts

by Zhengxiang Sun, Rui Wang, Vitaly Edwardovich Matulis and Korchak Vladimir

Molecules 2024, 29(6), 1286; https://doi.org/10.3390/molecules29061286 - 14 Mar 2024

Cited by 7 | Viewed by 2929

Abstract

As traditional fossil fuel energy development faces significant challenges, two-dimensional layered materials have become increasingly popular in various fields and have generated widespread research interest. MXene is an exceptional catalytic material that is typically integrated into functional composite materials with other substances to enhance its catalytic-reaction performance. Improving the thermal stability, electrical conductivity, and electrochemical activity, as well as enhancing the specific surface structure, can make the material an excellent catalyst for photoelectrocatalysis and energy-regeneration reactions. The article mainly outlines the structural characteristics, preparation methods, and applications of MXene in the field of catalysis. This text highlights the latest progress and performance comparison of MXene-based catalytic functional materials in various fields such as electrochemical conversion, photocatalysis, renewable energy, energy storage, and carbon capture and conversion. It also proposes future prospects and discusses the current bottlenecks and challenges in the development of MXene-based catalytic materials. Full article

(This article belongs to the Special Issue The Way Forward in MXenes Materials)

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