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This work explores the characteristics of two-dimensional (2D) titanium carbide (Ti3C2 MXene) and utilizes first-principles study to weigh its potential for supercapacitor applications. Scanning electron microscopy images confirm the layered morphology of the MXene, and energy-dispersive X-ray spectroscopy (EDX) analysis supports the extraction of aluminum from the MAX phase. Fourier-transform infrared (FTIR) spectroscopy confirms the presence of oxygen-based functional groups on the surface of the MXene and X-ray diffraction (XRD) patterns validate its hexagonal crystalline structure. Cyclic voltammetry (CV) analysis reveals the presence of redox peaks, indicating the pseudocapacitive behaviour of the fabricated electrode. Additionally, galvanostatic charge–discharge (GCD) measurements yield a calculated specific capacitance of 370 F g−1. Electrochemical impedance spectroscopy (EIS) substantiates the low impedance resulting from the layered structure via the adequate adsorption/desorption of cations. The utilization of first-principles density functional theory (DFT) calculations reveals the merging of conduction and valence bands, signifying effective conductivity. Both the total and partial density of states cross the Fermi level, indicating a highly efficient charge mobility process. The combination of prominent surface redox reactions and excellent conductivity contributes to the superior specific capacitance of the fabricated electrode. Overall, these results highlight the excellent electrochemical properties of the Ti3C2 MXene electrode, declaring it as a promising candidate for supercapacitor applications. [ABSTRACT FROM AUTHOR]

Ferromagnetism is explored in Cr3C2 from microscopic to electronic levels and the spin coupling is attributed to the p electrons of the nearest‐neighbor carbon atoms around the Cr–C atomic interactions. By using the spin‐polarized density functional calculations, four models are formulated. The models reveal that the C atoms seated in tri‐prism I site can induce magnetic moments and the C vacancies can also take part in the induced magnetic moment. The p–d orbital interactions between C interstitial atom and Cr atom contribute to two asymmetric states of majority and minority spins and lead to weak magnetic moments. The C interstitial atoms and C vacancies in the crystal lattice of Cr3C2 are observed by high‐resolution transmission electron microscopy and electron‐spin resonance (ESR) techniques. The magnetic properties of Cr3C2 are investigated by a superconducting quantum interference device. [ABSTRACT FROM AUTHOR]

Resonant Raman scattering is highly desired for material study. It is experimentally not easy to reach the resonant scattering interaction between an incident photon and a material due to the limited available laser wavelengths. In this study, by employing silver plasmonic nanoparticles deposited on glass substrate and by in situ adjusting the cadmium sulfide (CdS) band gap through heat treatment, resonant Raman scattering condition (laser wavelength of 514.5 nm) was fully achieved in nanocrystalline CdS thin films. The dramatically enhanced Raman scattering allowed us to in situ monitor the phase transition that occurred during the heat treatment and to quantitatively characterize the fraction of the zincblende (cubic) CdS in the main base of wurtzite (hexagonal) CdS. Raman multi-phonon and the corresponding high-order scattering modes were observed due to the much enhanced surface nanoplasmonic electric field. Copyright © 2016 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

The concentration and small size of nanodiamonds (NDs) plays a crucial role in the mechanical performance of epoxy-based nanocomposites by modifying the interface strength. Herein, we systemically analyzed the relation between the high concentration and small size of ND and the fracture properties of its epoxy-based nanocomposites. It was observed that there is a two-fold increase in fracture toughness and a three-fold increase in fracture energy. Rationally, functionalized-NDs (F-NDs) showed a much better performance for the nanocomposite than pristine NDs (P-NDs) because of additional functional groups on its surface. The F-ND/epoxy nanocomposites exhibited rougher surface in contrast with the P-ND/epoxy, indicating the presence of a strong interface. We found that the interfaces in F-ND/epoxy nanocomposites at high concentrations of NDs overlap by making a web, which can efficiently hinder further crack propagation. In addition, the de-bonding in P-ND/epoxy nanocomposites occurred at the interface with the appearance of plastic voids or semi-naked particles, whereas the de-bonding for F-ND/epoxy nanocomposites happened within the epoxy molecular network instead of the interface. Because of the strong interface in F-ND/epoxy nanocomposites, at high concentrations the de-bonding within the epoxy molecular network may lead to subsequent cracks, parallel to the parent crack, via crack splitting which results in a fiber-like structure on the fracture surface. The plastic void growth, crack deflection and subsequent crack growth were correlated to higher values of fracture toughness and fracture energy in F-ND/epoxy nanocomposites. [ABSTRACT FROM AUTHOR]

A series of alluaudite Na2Fe3− xMn x(PO4)3 microcompounds, which self-assembled from primary nanorods, were prepared successfully through a solvothermal method. As a promising candidate cathode for sodium-ion batteries, it is necessary to obtain a deeper understanding of the relationship between the structure and physicochemical properties of these materials. The local electronic and geometric environments were systematically investigated, for the first time, by using a combination of soft/hard X-ray absorption, IR, and Mössbauer spectroscopy. The results show that the electrochemical performance is not only associated with morphology, but also with the electronic and crystalline structure. With the introduction of manganese into the lattice, the long-range order maintains the isostructural framework and the lattice parameters expand as expected. However, for short-range order, PO4 tetrahedra and MO6 octahedra (M=Fe and Mn) become more severely distorted as a function of Mn concentration. Meanwhile, larger MnO6 octahedra will compress the space of FeO6 octahedra, which will result in stronger core/electron-electron interactions for Fe, as characterized by hard/soft X-ray absorption spectra. These slight changes in the electronic and local structures lead to different electrochemical performances with changes to the manganese content. Moreover, other physicochemical properties, such as magnetic behavior, are also confirmed to be correlated with these different electron interactions and local geometric environments. [ABSTRACT FROM AUTHOR]

Developing sodium-ion batteries (SIBs) with high initial coulombic efficiency (ICE) and long-term cycling stability is crucial to meet energy storage device requirements. Designing anode materials that could exhibit high ICE is a promising strategy to realize enhanced energy density in SIBs. A trifunctional network binder substantially improves the electrochemical performance and ICE, providing excellent mechanical properties and strong adhesion strength. A rationally designed electrode material and binder can achieve high ICE, long cycling performance, and excellent specific capacity. Here, a NiS/NiS 2 heterostructure as an anode material and a trifunctional network binder (SA-g-PAM) are designed for SIBs. Unprecedently, the anode comprising of an SA-g-PAM binder achieved the highest ICE of 90.7% and remarkable cycling stability for 19000 cycles at a current density of 10 A g -1 and maintained the specific capacity of 482.3 mAh g -1 even after 19000 cycles. This exciting work provides an alternate direction to the battery industry for developing high-performance electrode materials and binders with high ICE and excellent cycling stability for energy storage devices.