Challenges Facing Lithium Batteries and Electrical Double‐Layer Capacitors

Energy‐storage technologies, including electrical double‐layer capacitors and rechargeable batteries, have attracted significant attention for applications in portable electronic devices, electric vehicles, bulk electricity storage at power stations, and “load leveling” of renewable sources, such as solar energy and wind power. Transforming lithium batteries and electric double‐layer capacitors requires a step change in the science underpinning these devices, including the discovery of new materials, new electrochemistry, and an increased understanding of the processes on which the devices depend. The Review will consider some of the current scientific issues underpinning lithium batteries and electric double‐layer capacitors.     

Phonons and thermodynamics of unmixed and disordered Li0.6FePO4

The lithium-storage material Li(0.6)FePO(4) was studied by inelastic neutron scattering and differential scanning calorimetry. Li(0.6)FePO(4) undergoes a transformation from a two-phase mixture (heterosite and triphylite) to a disordered solid-solution at 200 degrees C. Phonon densities of states (DOS) obtained from the inelastic neutron scattering were similar for the two-phase sample measured at 180 degrees C and the disordered sample measured at 220 degrees C. The vibrational entropy of transformation is 1.8 +/-0.9 J/(K mol), which is smaller than the configurational entropy difference of approximately 3.1 J/(K mol). The measured enthalpy of the disordering transition was estimated as 2.5 kJ/mol. The phonon data show a small change in lattice dynamics upon disordering.     

Association Behavior of 3,4-Dihydroxy-9,10-dioxo-2-anthracenesulfonic Acid Sodium Salt in Cationic Surfactant Medium Under Different pH Conditions

Ultraviolet (UV)-visible behavior of 3,4-dihydroxy-9,10-dioxo-2-anthracenesulfonic acid sodium salt (ARS) has been studied at pH 4.0, aqueous medium, and at pH 10.0. The effects of cetyl trimethylammoniumbromide (CTAB) on the UV-visible spectra of ARS have been evaluated qualitatively as well as quantitatively in the different concentration regions of CTAB. The shift in the UV-visible spectrum of ARS, due to CTAB, at its low concentration is comparable to the shift shown by the same at pH 10.0. In acidic and basic pH, effect of CTAB is significantly lowered on the UV-visible spectra than ARS in the purely aqueous medium. In aqueous and basic medium, lower values of partition and binding constant are obtained compared to the one obtained in acidic medium. Conductivity studies show that increasing dye concentrations have no effect on its partitioning behavior nevertheless critical micelle concentration of CTAB is lowered.     

Characterization of CdTe thin films fabricated by close spaced sublimation technique and a study of Cu doping by ion exchange process

CdTe thin films were prepared onto water-white glass substrates by the close spaced sublimation technique. The films annealed right after the deposition were then immersed in copper nitrate solution for different periods of time. These films were again annealed at 500 ^oC for 1 h to ensure the diffusion of copper in the films. The samples were characterized by X-ray diffraction and scanning electron microscopy. The electron microprobe analyzer showed an increase of copper-content in composition. The dc electrical conductivity showed a credible increase with increasing copper-content in the films. With the increase of copper-content, the hole mobility increased systematically. The optical parameters were deduced by fitting the optical transmittance in the wavelength range 300–2500 nm.     

A general and mild domino approach to substituted 1-aminoindoles

A versatile and efficient palladium catalyzed domino reaction leading to a broad range of substituted 1-aminoindoles has been developed. The title compounds were prepared from 2-halo-phenylacetylenes and simple hydrazines in good to excellent yields in just a few hours under mild conditions.     

Influence of particle size on solid solution formation and phase interfaces in Li0.5FePO4 revealed by 31P and 7Li solid state NMR spectroscopy

Here we report the observation of electron delocalization in nano-dimension xLiFePO(4):(1 - x)FePO(4) (x = 0.5) using high temperature, static, (31)P solid state NMR. The (31)P paramagnetic shift in this material shows extreme sensitivity to the oxidation state of the Fe center. At room temperature two distinct (31)P resonances arising from FePO(4) and LiFePO(4) are observed at 5800 ppm and 3800 ppm, respectively. At temperatures near 400 °C these resonances coalesce into a single narrowed peak centered around 3200 ppm caused by the averaging of the electronic environments at the phosphate centers, resulting from the delocalization of the electrons among the iron centers. (7)Li MAS NMR spectra of nanometre sized xLiFePO(4):(1 - x)FePO(4) (x = 0.5) particles at ambient temperature reveal evidence of Li residing at the phase interface between the LiFePO(4) and FePO(4) domains. Moreover, a new broad resonance is resolved at 65 ppm, and is attributed to Li adjacent to the anti-site Fe defect. This information is considered in light of the (7)Li MAS spectrum of LiMnPO(4), which despite being iso-structural with LiFePO(4) yields a remarkably different (7)Li MAS spectrum due to the different electronic states of the paramagnetic centers. For LiMnPO(4) the higher (7)Li MAS paramagnetic shift (65 ppm) and narrowed isotropic resonance (FWHM ≈ 500 Hz) is attributed to an additional unpaired electron in the t(2g) orbital as compared to LiFePO(4) which has δ(iso) = -11 ppm and a FWHM = 9500 Hz. Only the delithiated phase FePO(4) is iso-electronic and iso-structural with LiMnPO(4). This similarity is readily observed in the (7)Li MAS spectrum of xLiFePO(4):(1 - x)FePO(4) (x = 0.5) where Li sitting near Fe in the 3+ oxidation state takes on spectral features reminiscent of LiMnPO(4). Overall, these spectral features allow for better understanding of the chemical and electrochemical (de)lithiation mechanisms of LiFePO(4) and the Li-environments generated upon cycling.     

Investigation of hydrogen absorption in Li7VN4 and Li7MnN4

The hydrogen storage properties of Li(7)VN(4) and Li(7)MnN(4) were investigated both by experiment and by density functional theory calculations. Li(7)VN(4) did not sorb hydrogen under our experimental conditions. Li(7)MnN(4) was observed to sorb 7 hydrogen atoms through the formation of LiH, Mn(4)N, and ammonia gas. An applied pressurized mixture of H(2)/Ar and H(2)/N(2) gases was helpful to mitigate the release of NH(3) but could not prevent its formation. The introduction of N(2) also caused weight gain of the sample by re-nitriding the absorbed products LiH and Mn(4)N, which correlated with the presence of Li(2)NH, LiNH(2), and Mn(2)N detected by X-ray diffraction. While our observed results for Li(7)VN(4) and Li(7)MnN(4) differ in detail, they are in overall qualitative agreement with our theoretical work, which strongly suggests that both compounds are unlikely to form quaternary hydrides.     

Flow and heat transfer over an unsteady stretching sheet in a micropolar fluid

The unsteady laminar flow of an incompressible micropolar fluid over a stretching sheet is investigated. The unsteadiness in the flow and temperature fields is caused by the time-dependence of the stretching velocity and the surface temperature. Effects of the unsteadiness parameter, material parameter and Prandtl number on the flow and heat transfer characteristics are thoroughly examined.     

MHD boundary layer flow and heat transfer over a stretching sheet with induced magnetic field

In this paper, the problem of steady magnetohydrodynamic boundary layer flow and heat transfer of a viscous and electrically conducting fluid over a stretching sheet is studied. The effect of the induced magnetic field is taken into account. The transformed ordinary differential equations are solved numerically using the finite-difference scheme known as the Keller-box method. Numerical results are obtained for various values of the magnetic parameter, the reciprocal magnetic Prandtl number and the Prandtl number. The effects of these parameters on the flow and heat transfer characteristics are determined and discussed in detail. When the magnetic field is absent, the closed analytical results for the skin friction are compared with the exact numerical results. Also the numerical results for the heat flux from the stretching surface are compared with the results reported by other authors when the magnetic field is absent. It is found that very good agreement exists.     

Experimental analysis of convergence of the numerical solution to a generalized solution in fluid dynamics

Convergence of the approximate solution of fluid dynamics problems obtained using Godunov’s scheme to the discontinuous solution is investigated.