First observation on emergence of strong room-temperature ferroelectricity and multiferroicity in 2D-Ti3C2T x free-standing MXene film.

Two-dimensional (2D) multiferroics are key candidate materials towards advancement of smart technology. Here, we employed a simple synthesis approach to address the long-awaited dream of developing ferroelectric and multiferroic 2D materials, especially in the new class of materials called MXenes. The etched Ti3C2T x MXene was first synthesized after HF-treatment followed by a delamination process for successful synthesis of free-standing Ti3C2T x film. The free-standing film was then exposed to air at room-temperature and heated at different temperatures to form a TiO2 layer derived from the Ti3C2T x MXene itself. The ferroelectric measurement showed a clear polarization hysteresis loop at room-temperature. Also, due to the reported ferromagnetic behavior of Ti3C2T x MXene, our composite could show multiferroic properties at room-temperature. The magnetoelectric coupling test was also performed that showed a clear, switchable spontaneous polarization under applied magnetic field. TiO2 is reported to be an incipient ferroelectric that assumes a ferroelectric phase in composite form. The structural and morphological analysis confirmed successful synthesis of free-standing film and the Raman spectroscopy revealed the formation of different phases of TiO2 and the observed ferroelectricity could be due to structural deformation as a result of the formation of this new phase. The measured value of remanent polarization is 0.5 µC cm-2. This is the first report on the existence of a ferroelectric phase and multiferroic coupling in 2D free-standing MXene film at room-temperature which opens-up the possibility of 2D material-based electric and magnetic data storage applications at room-temperature.

MWCNT-modified MXene as cost-effective efficient bifunctional catalyst for overall water splitting.

Utilization of cost-effective, bifunctional, and efficient electrocatalysts for complete water splitting is desirable for sustainable clean hydrogen energy. In last decade, MXenes, a family of emerging two-dimensional (2D) materials with unique physiochemical properties, enticed scientists because of their use in different applications. However, insufficient electron transport, lower intrinsic chemical activity and limited active site densities are the factors inhibiting their use in electrocatalytic cells for hydrogen production. Here, we have presented material design to address this issue and introduced carbon nanotubes (CNTs) on V2CT x MXene sheets for conductive network channels that enhance the ion diffusion for enhanced electrochemical activity. The SEM reveals the uniform dispersion of the MWCNTs over the MXene surface that resulted in the formation of conductive network channels and enhances reaction kinetics. The as-synthesized electrocatalyst was subjected to linear sweep voltammetry (LSV) measurements for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). The hybrid catalyst M2 exhibited an enhanced HER activity with a lower over-potential of 27 mV which is comparable to commercially available Pt-based catalysts (32 mV). Similarly, an enhanced OER activity was observed with a lower over-potential of 469 mV as compared to pristine V2CT x MXene. The electrocatalyst was subjected to a durability test through chronoamperometry and was observed to be stable for 16 hours. Hence, this study opens a new avenue for future cost-effective efficient catalysts for overall water splitting as a solution to produce clean hydrogen.

Nickel-adsorbed two-dimensional Nb2C MXene for enhanced energy storage applications.

Owing to the tremendous energy storage capacity of two-dimensional transition metal carbides (MXenes), they have been efficiently utilized as a promising candidate in the field of super-capacitors. The energy storage capacity of MXenes can be further enhanced using metal dopants. Herein, we have reported the synthesis of pristine and nickel doped niobium-carbide (Nb2C) MXenes, their computational and electrochemical properties. Upon introduction of nickel (Ni) the TDOS increases and a continuous DOS pattern is observed which indicates coupling between Ni and pristine MXene. The alterations in the DOS, predominantly in the nearby region of the Fermi level are profitable for our electrochemical applications. Additionally, the Ni-doped sample shows a significant capacitive performance of 666.67 F g-1 which can be attributed to the additional active sites generated by doping with Ni. It is worth noting that doped MXenes exhibited a capacitance retention of 81% up to 10 000 cycles. The current study unveils the opportunities of using MXenes with different metal dopants and hypothesize on their performance for energy storage devices.

Experimental and Computational Analysis of MnO2@V2C-MXene for Enhanced Energy Storage.

Herein, we studied the novel and emerging group of 2D materials namely MXene along with its nanocomposites. This work entails detailed experimental as well as computational study of the electrochemical behavior of vanadium carbide (V2CTx) MXene and MnO2-V2C nanocomposite with varying percentages of MnO2. A specific capacitance of 551.8 F/g was achieved for MnO2-V2C nanocomposite in 1 M KOH electrolyte solution, which is more than two times higher than the gravimetric capacitance of 196.5 F/g obtained for V2C. The cyclic stability achieved for the MnO2-V2C nanocomposite resulted in a retentivity of 96.5% until 5000 cycles. The c-lattice parameter achieved for MXene is 22.6 Å, which was 13.01 Å for MAX phase. The nanocomposite resulted in a c-lattice parameter of 27.2 Å, which showed that the spatial distance between the MXene layers was efficiently obtained. The method of wet etching was used for the preparation of pristine MXene and the liquid phase precipitation method was opted for the synthesis of the MnO2-V2C nanocomposite. Density functional theory calculation was exercised so as to complement the experimental results and to understand the microscopic details, such as structure stability and electronic structure. The current report presents a comprehensive experimental and computational study on 2D MXenes for future energy storage applications.