Longitudinal unzipping of carbon nanotubes and their electrochemical performance in supercapacitors

The capacitive properties of graphene nanoribbons (GNRs) with different reduction levels were investigated. GNRs have been synthesized through thermal reduction of oxidized GNRs in the temperature range 100–400 °C. Oxidized GNRs were synthesized by longitudinal unzipping of multi-walled carbon nanotubes (MWCNTs) by means of chemical treatments. Scanning electron microscopy and transmission electron microscopy observations showed, that the efficient tube unzipping yielded improved effective surface area without any tube annihilation by the unzipping process of MWCNTs. Electrochemical studies indicated that through unzipping of MWCNTs, specific capacitance increased from 8 to 28 F g⁻¹ at discharge current density of 0.5 A g⁻¹, confirming increased active surface area and increased defect density in the MWCNTs surface. Unzipping of MWCNTs resulted in decreased rate capability of the electrode because of low electrical conductivity due to oxidization during the unzipping process. Thermal reduction of unzipped sample affected both specific capacitance and rate capability of electrodes. The highest specific capacitance of 62 F g⁻¹ at discharge current density of 0.5 A g⁻¹ was obtained for the sample unzipped and thermally annealed at about 150 °C. The amount of oxygen-containing groups was shown to be an important factor influencing the performance of the GNRs. These results make unzipped MWCNTs promising electrode materials for supercapacitor applications.     

Synergistic effect of Cr2O3 and Co3O4 nanocomposite electrode for high performance supercapacitor applications

The fabrication of high performance supercapacitor electrodes has been greatly investigated for future high power storage applications. In this present work, chromium oxide-cobalt oxide based nanocomposite (Cr₂O₃–Co₃O₄ NC) was synthesized using the hydrothermal approach. Moreover, the cyclic voltammetry (CV) study reveals the Cr₂O₃–Co₃O₄ NC delivers a high specific capacitance of 619.4 F/g at 10 mV/s. The electrochemical impedance spectra (EIS) of Cr₂O₃–Co₃O₄ NC possess the solution resistance (R_s) and charge transfer resistance (R_ct) of 0.68 Ω and 0.03 Ω respectively. The Galvanostatic charge-discharge (GCD) analysis demonstrated the prolonged charge-discharge time and good rate capability of the Cr₂O₃–Co₃O₄ NC. The cyclic stability of Cr₂O₃–Co₃O₄ NC delivers superior capacitive retention of 83% even after 2000 cycles. The asymmetric supercapacitor (ASC) device based on Cr₂O₃–Co₃O₄//AC yielded an energy density of 4.3 Wh/kg at the corresponding power density of 200 W/kg. Furthermore, the ASC delivers superior cyclic stability of 74.8% even after 1000 consecutive charge-discharge cycles.     

Simulations of monolayer SiC transistors with metallic 1T-phase MoS2 contact for high performance application

We preform a first-principles study of performance of 5 nm double-gated (DG) Schottky-barrier field effect transistors (SBFETs) based on two-dimensional SiC with monolayer or bilayer metallic 1T-phase MoS₂ contacts. Because of the wide bandgap of SiC, the corresponding DG SBFETs can weaken the short channel effect. The calculated transfer characteristics also meet the standard of the high performance transistor summarized by international technology road-map for semiconductors. Moreover, the bilayer metallic 1T-phase MoS₂ contacts in three stacking structures all can further raise the ON-state currents of DG SiC SBFETs in varying degrees. The above results are helpful and instructive for design of short channel transistors in the future.     

Sonochemical synthesis of LiNi0.5Mn1.5O4 and its electrochemical performance as a cathode material for 5 V Li-ion batteries

LiNi_0.5Mn_1.5O₄ was synthesized as a cathode material for Li-ion batteries by a sonochemical reaction followed by annealing, and was characterized by XRD, SEM, HRTEM and Raman spectroscopy in conjunction with electrochemical measurements. Two samples were prepared by a sonochemical process, one without using glucose (sample-S1) and another with glucose (sample-S2). An initial discharge specific capacity of 130 mA h g⁻¹ is obtained for LiNi_0.5Mn_1.5O₄ at a relatively slow rate of C/10 in galvanostatic charge–discharge cycling. The capacity retention upon 50 cycles at this rate was around 95.4% and 98.9% for sample-S1 and sample-S2, respectively, at 30 °C.     

Physical properties of tetragonal transition-metal borides Nb2MB2 (M = Mo,W, Re or Os) with a new superstructure

The mechanical and thermodynamic properties, chemical bonding characteristics and electronic structure of Nb₂MB₂ (M = Mo, W, Re or Os) with a new tetragonal U₃Si₂-type superstructure (space group P4/mnc, no. 128) were studied by means of density functional theory calculations. All Nb₂MB₂ structures studied were demonstrated to be thermodynamically and mechanically stable. The bulk, shear and Young's moduli, Poisson's ratio, Debye temperature and anisotropy factors were derived for ideal polycrystalline Nb₂MB₂ aggregates. Among these compounds, Nb₂WB₂ was found to have the highest shear modulus and hardness. The electronic densities of state and electronic localization function analysis revealed the metallicity and strong covalent B–B, Nb–B and M−B bonding in Nb₂MB₂. Moreover, these results reveal that the covalence between Nb 4d, M nd (n = 4 for Mo and 5 for W, Re and Os) and B 2p states is the cause of the relatively higher elastic modulus and hardness of the Nb-based compounds. Finally, thermodynamic properties, including the bulk modulus, heat capacity and thermal expansion coefficient of Nb₂WB₂ were obtained systematically under high temperature and pressure.     

Ultrasound-assisted facile one-pot synthesis of ternary MWCNT/MnO2/rGO nanocomposite for high performance supercapacitors with commercial-level mass loadings

Commercial application of supercapacitors (SCs) requires high mass loading electrodes simultaneously with high energy density and long cycle life. Herein, we have reported a ternary multi-walled carbon nanotube (MWCNT)/MnO₂/reduced graphene oxide (rGO) nanocomposite for SCs with commercial-level mass loadings. The ternary nanocomposite was synthesized using a facile ultrasound-assisted one-pot method. The symmetric SC fabricated with ternary MWCNT/MnO₂/rGO nanocomposite demonstrated marked enhancement in capacitive performance as compared to those with binary nanocomposites (MnO₂/rGO and MnO₂/MWCNT). The synergistic effect from simultaneous growth of MnO₂ on the graphene and MWCNTs under ultrasonic irradiation resulted in the formation of a porous ternary structure with efficient ion diffusion channels and high electrochemically active surface area. The symmetric SC with commercial-level mass loading electrodes (∼12 mg cm⁻²) offered a high specific capacitance (314.6 F g⁻¹) and energy density (21.1 W h kg⁻¹ at 150 W kg⁻¹) at a wide operating voltage of 1.5 V. Moreover, the SC exhibits no loss of capacitance after 5000 charge−discharge cycles showcasing excellent cycle life.     

Dielectric and piezoelectric properties of manganese‐modified PbHfO3–PbTiO3–Pb(Mg1/3Nb2/3)O3 ternary ceramics with morphotropic phase boundary compositions

High piezoelectric and electromechanical properties were reported in the PbHfO₃–PbTiO₃–Pb(Mg_1/3Nb_2/3)O₃ ternary system with morphotropic phase boundary (MPB) compositions. This work focuses on the effect of MnO₂ addition on 0.8Pb(Hf_0.443Ti_0.557)O₃–0.2PMN (0.8PHT–0.2PMN) ceramics. It was observed that the Mn acceptor modification induced a “hardening” effect in 0.8PHT–0.2PMN, with decreased piezoelectric coefficients d₃₃ and dielectric loss tan δ and a significantly increased mechanical quality factor Q_m. Moreover, the 0.2 wt% MnO₂‐doped 0.8PHT–0.2PMN ceramics exhibited good piezoelectric and electromechanical properties with d₃₃, planar electromechanical coupling k_p and Q_m being on the order of 360 pC/N, 61% and 700, respectively, showing advantages compared to those of commercial hard PZT4 ceramics, which is attractive for high power applications. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Dextran‐Coated Antiferromagnetic MnO Nanoparticles for a T1‐MRI Contrast Agent with High Colloidal Stability

A simple approach to synthesize carboxymethyl dextran‐coated MnO nanoparticles (CMDex‐MnONPs) with high colloidal stability in physiological saline solutions is described here for potential applications as a magnetic resonance imaging (MRI) T₁ contrast agent. The thermal decomposition methodology is used to produce uniform MnONPs with an average size of around 20 nm, and its hydrophobic surface is modified with CMDex molecules, conferring hydrophilic properties. After CMDex coating, the nanoparticle presents high colloidal stability in concentrations ranging from 10 to 50 μg mL^?1, average hydrodynamic size (Z‐average) of 130 nm, polydispersity degree of ≈12%, and negative surface charge in both simulated body fluid solutions and pure water with zeta‐potential of –20 and –40 mV, respectively. The CMDex‐MnONPs with 20 nm show antiferromagnetic behavior at room temperature, and the magnetic properties are found to be strongly dependent of the nanoparticle size, increasing the contribution of the ferromagnetic Mn₃O₄ phase with decreasing size for nanoparticles about 3 nm. Cytotoxicity evaluation in cancerous and noncancerous cells in the range of 5.0–50.0 μg mL^?1 shows low toxicity for cancerous cells and lack of the same for healthy cells lines. Related to the magnetic properties, CMDex‐MnONP presents significant r₁ relaxivity and low r₂/r₁ relaxivity ratio. The results suggest that these nanoparticles display characteristics for potential applications as an MRI T₁ contrast agent.     

TiO2 nanoparticles with high ability for selective adsorption and photodegradation of textile dyes under visible light by feasible preparation

Particular TiO₂ nanoparticles with high selective photocatalytic oxidation of anionic dyes are prepared by a feasible hydrothermal method. Moreover, its photocatalytic selectivity can be easily switched to cationic dyes by a simple post-treatment in ammonia solution, which makes the prepared TiO₂ have bi-directional selectivity in dye photodegradation. Based on the photocatalytic performances and the structure and surface characteristics of the catalyst, the bi-directional selectivity of the catalysts is found to be closely related to the adsorption selectivity. The adsorption selectivity originates from surface charge groups, which are introduced during the preparation and post-treatment progresses. This study provides a facile and economical approach towards selective degradation of dyes with high efficiency by the special TiO₂ nanoparticles synthesized through a simple hydrothermal method, which may be used practically in the future.     

Optical simulation, optimized design and fabrication of (ZrO2)x-(Al2O3)1−x composite films with thin inserted TiO2 layers for ArF-line high transmission attenuated phase shift mask blank applications

The tunable optical constants of the stoichiometric (ZrO₂)_x-(Al₂O₃)_1−x composite films with thin inserted TiO₂ layers are simulated as π-phase shifters. The optimized composition range of the superlattices to be used as a high transmission attenuated phase shift mask (HT-APSM) blank is found. The absorption edge shifts to the longer wavelengths when the thickness fraction of the TiO₂ layer increases. The optimized film for ArF-line HT-APSM blank applications must have the lower inspection transmittance for the better inspection and the lower reflectance at the exposure wavelength for a better aerial image as π-phase shifters, and they will be easier to fabricate than a superlattice. In order to find such a film, (ZrO₂)_x-(Al₂O₃)_1−x composite films with various inserted TiO₂ layers are simulated. The optimal deposition processes of such a film are also determined. For example, a (ZrO₂)_0.187-(Al₂O₃)_0.813 composite film with two inserted TiO₂ thin layers is fabricated. The optical properties are as follows: a transmittance of 19.8%, a reflectance of 9.1%, a calculated phase shift of ∼181.5° at the exposure wavelength of 193 nm, and a transmittance of 18.9% at the inspection wavelength of 257 nm. Such a film should be used as an optimized HT-APSM blank.